MDC

UNIV. of ARIZONA

MONOGRAPH 25-SECTION 18

Standard x-ray diffraction powder pattern

C 13.44: 25/sec.18

VAU o? *

3 9001 90045 6248

U.S. DEPARTMENT OF COMMERCE/ National Bureau of Standards

Standard X-ray Diffraction

Powder Patterns

NATIONAL BUREAU OF STANDARDS

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Standard X-ray Diffraction

Powder Patterns
Section 18
Data for 58 Substances
Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans,
Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos
International Centre for
Diffraction Data

Camden R. Hubbard
National Measurement Laboratory
National Bureau of Standards
Washington, DC 20234

, op c0

jCPDs
^
Of "*

International Centre for

Diffraction Data

U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary

NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Director

Issued October 1981

Library of Congress Catalog Card Number: 53-61386

National Bureau of Standards Monograph 25

Section 18Data for 58 Substances

Nat. Bur. Stand. (U.S.), Monogr. 25Sec. 18, 110 pages (Oct. 1981)
CODEN: NBSMA6

CONTENTS
Page

Introduction

Page
Nickel titanium oxide, NiTi03 ....
Potassium fluoride hydrate, KF*2H20 .
Potassium iron cyanide, K4Fe(CN) 6 . .
Potassium vanadium oxide, KV03 . . .
Silicon nitride, -Si 3N4 ......
Silicon oxide (quartz, low), a-Si02 .
Sodium aluminum oxide, p-NaA102 .
Sodium borate, NaB02 ........
Sodium niobium oxide (lueshite),
NaNb03 ..............
Sodium nitrosyl iron cyanide hydrate,
Na2 (NO)Fe(CN) 5 -2H20 .......
Sodium vanadium oxide, a-NaV03 . . .
Sodium vanadium oxide, p-NaV03 . . .
Strontium iron oxide, SrFe 12 0 1 9 . . .
Thorium carbide, ThC ........
Thorium nitrate hydrate,
Th(N03 ) 4 -5H20 ..........
Titanium carbide, TiC ........
Tungsten oxide, W02 .........
Uranium nitride, UN .........
Uranyl acetate hydrate, C 4H606U'2H20
Yttrium, Y .............
Zinc acetate hydrate, C 4H60 4 Zn'2H20 .
Zirconium fluoride, ZrF 4 ......
Zirconium oxide chloride hydrate,
ZrOCl 2 -8H20 ...........

Experimental patterns:
Aluminum iron, AIFe ..........
Ammonium cerium nitrate,
(NH4 ) 2 Ce(N03 ) 6
..........
Ammonium tin fluoride, NH4SnF3 ....
Arsenic bromide, AsBr3 ........
Barium aluminum titanium oxide,
Ba 1 .23A1 2.46Ti 5.5416

.......

Barium manganese oxide, BaMn04 ....

Barium neodymium titanium oxide,
BaNd 2Ti 30 10 ............
Benzidine hydrochloride,
C12" 1.2" 2 *2HC1

...........

Beryllium nitride, Be 3N2 .......

Bismuth selenide (paraguanajuatite),
Bi 2 Se 3 ...............
Calcium borate, CaB204 ........
Calcium cyanamide, CaCN2 .......
Calcium iron oxide, CaFe 204 ......
Calcium sulfate hydrate (bassanite),
CaS04 -0.5H20 ............
Carbamazepine, P~C 15H 12N20 .......
Cerium niobium oxide
CeNb04 ...............
Cerium tantalum oxide, CeTa04 .....
Cesium magnesium titanium oxide,
Cs 1.45Mg0.724Ti 7,2716

......

Chromium boride, Cr 5B 3 .........

Cobalt fluoride, CoF2 .........
Cobalt phosphide, Co 2P ........
Copper chloride hydrate (eriochalcite),
CuCl 2 -2H20 .............
lodoform, CHI 3 ............
Iron boride, FeB ............
Iron fluoride, FeF 3 ..........
Iron oxide (hematite), a-Fe 20 3 ....
Iron yttrium oxide, Fe 5Y30 12 .....
Lithium iodide hydrate, LiI*3H20 ....
Magnesium phosphate, a-Mg2 P20 7 ....
Manganese, p-Mn ............
Molybdenum oxide, Mo02 .........
Neodymium tantalum oxide, NdTa04 . . .
Neodymium titanium oxide, Nd2 Ti0 5 . . .
Neodymium titanium oxide, Nd2Ti 2(>7 . .
Neodymium titanium oxide, Nd4Ti 90 24 . .

6
8

9
10
11
12
14
15
16
17
19
20

22
24
25
27
29
30
31
32

54
55
56
57
59
61
62
63
64
66
67
68
69
71
72
73
74
75
76
77
78
79
81

Cumulative indices
(Circular 539, Volumes 1-10 and
Monograph 25, Sections 1-18 inclusive)

33
34
35

1.
2.
3.
4.

36

37
38

40
41
43
44
46
48
50
52

iii

Inorganic . . .
Organic formula
Organic name
Mineral ....

82
99
101
103

STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Previous work has been published as a book entitled Powder Diffraction Data from the Joint Committee
on Powder Diffraction Standards Associateship at the National Bureau of Standards (1976) (JCPDS Inter
national Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081). The volume is sold with an
accompnaying search manual, and contains 949 card images of patterns of experimental data, published orig
inally as Circular 539 (vols. 1-10) and Monograph 25, Sections 1-12, and most of Section 13.
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Circular 539, Volume

Volume
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Volume

1.............PB
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6.............PB
7.............PB
8.............PB
9.............PB
10............PB

178
178
178
178
178
178
178
178
178
178

Number

NBS Publication

Number

NBS Publication

902
903
904
905
906
907
908
909
910
911

Monograph 25,

Section
Section
Section
Section
Section
Section
Section
Section
Section
Section
Section
Section
Section
Section
Section

1..........PB
2..........PB
3..........PB
4
5
6
7
8..........PB
9.........COM
10........COM
11........COM
12........COM
13.........PB
14.........PB
15.........PB

178 429
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178 431

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72-50002
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254 073
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ERRATA
Monograph 25
Section 9, PPSection 15, p.
Section 17, p,
P
PPPPP

73,74: Much of the data is incorrect. See a corrected pattern in this issue.
136: The correct year should be 1970 for the reference to Fletcher et al.
41: The color should be light grayish yellowish brown.
62: Under "Structure," the date should be 1967 for reference to Katz and Megaw.
64: Under "References," after J. Appl. Crystallogr., add 2, 89.
70: Under "Synonym," at line 1, delete hydrate.
70: Under "Lattice constants," the value for c should be 5.567.
103,104: The text is out of order. Page 104 should precede page 103.

iv

STANDARD X-RAY DIFFRACTION POWDER PATTERNS

Section 18

Data for 58 Substances

by

Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans,

Boris Paretzkin, Harry S. Parker, and Nicolas C. Panagiotopoulos
JCPDS International Centre for Diffraction Data
and
Camden R. Hubbard
National Bureau of Standards
Standard x-ray powder diffraction patterns are presented for 58 substances.
These experimental patterns, useful for identification, were obtained by diffractometer methods. The lattice constants were refined by least-squares methods, and
reflections were assigned Miller indices consistent with space group extinctions.
Relative intensities, calculated densities, literature references, and other rele
vant data are included.
Key words: Crystal structure; densities; lattice constants; powder patterns;
reference intensities; standard; x-ray diffraction.
INTRODUCTION
The Powder Diffraction File (PDF) is a con
tinuing compilation of diffraction patterns gathered
from many sources. Produced and published by the
JCPDS International Centre for Diffraction Data, 1
the PDF is used for identification of crystalline
materials by matching d-spacings and diffraction
intensity measurements. Under the partial spon
sorship of the JCPDS, the program at the National
Bureau of Standards contributes new or improved
data to the PDF. Our work also aids in the de
velopment of diffraction techniques. This report
presents information for 58 experimental patterns,
and is the twenty-eighth of the series of Standard
X-ray Diffraction Powder Patterns. 2

Appropriate annealing or recrystallization of the

samples improved the quality of many of the pat
terns. A check of phase purity was provided by
indexing the x-ray pattern and by optical exami
nation.

EXPERIMENTAL POWDER PATTERNS

Interplanar spacings. All spacing determi

nations were made using an internal standard mixed
with the sample, packed in a shallow holder.
Choice of the standard was determined by the need
for low angle and unobstructed reflections. The
amount of standard was estimated so that the in
tensity of its strongest peak would be about equal
to the intensity of the strongest peak of the sam
ple. The internal standards used were of high
purity (99.99%). The lattice constants used for
them at 25 C are given in Table 1; the 26 angles
were computed using cell dimensions uncorrected
for index of refraction.

Names. The nomenclature follows the current

practice of the PDF.
CAS registry number. The Chemical Abstracts
Service Registry Number is included, when avail
able, to help identify the sample. This number
forms the basis for computer-aided searching of
Chemical Abstracts.
Sample. The samples used to make NBS patterns
were obtained from a variety of sources or were
prepared in small quantities in our laboratory.
1JCPDS International Centre for Diffraction Data,
1601 Park Lane, Swarthmore, PA 19081. This Penn
sylvania non-profit corporation functions in co
operation with the American Ceramic Society, the
American Crystallographic Association, the Amer
ican Society for Testing and Materials, The Clay
Minerals Society, The Institute of Physics, the
Mineralogical Association of Canada, the Mineralogical Society of America, The Mineralogical
Society of Great Britain and Ireland, the National
Association of Corrosion Engineers, and the Societe
Francaise de Mineralogie et de Cristallographie.
2See previous page for other published volumes.

Optical data. When reported, optical mea

surements were made by grain immersion methods,
in white light, using oils standardized in sodium
light, in the refractive index range 1.49 to 2.1
[Hartshorne and Stuart, 1970].
The names of the sample colors are selected
from the ISCC-NBS Centroid Color Charts [1965].

The internal standard Si powder is available

as Standard Reference Material 640 [1974]. The
lattice constant for the Si was refined from mul
tiple powder data measurements made with tung
sten as an internal standard [Swanson et al.,
1966]. Single crystal cell parameter data were
also collected. The lattice parameters from the
two methods agreed within three parts in 10 s
[Hubbard et al., 1975]. D-spacing results using
SRM 640 will be in agreement with patterns re
corded in this series of Monographs since 1966.
All patterns were recorded at 25 i 1 C on a
diffractometer equipped with a focusing graphite or

lithium fluoride crystal monochromator located

between the sample and the scintillation counter.
Pulse height discrimination was used as well. All
data were collected using copper radiation: \(CuKofj,
peak) = 1.5405981 [Deslattes and Henins, 1973].
Table 1

Calculated 26 Angles, CuKc^ \ = 1.540598A

hk
110
111
200
211
220
310
311
222
321
400
331
420
422
511/333
440
531
620
533
444

W
o
a=3.16524A
.00004

Ag
o
a=4.08651A
.00002

Si
o
a=5.43088A
.00004

40.262
58.251
73.184
86.996

38.112
44.295

28.443

64.437

47.303

77.390
81.533

56.123

97.875

69.131

110.499
114.914
134.871
156.737

76.377

100.632
114.923
131.171
153.535

88.032
94.954
106.710
114.094
127.547
136,897
158.638

The readings of 26 were taken at positions

about 20% of the way down from the top, and in
the center of the peak width. This avoided errors
associated with aberrations at the very top of the
peaks. The Kor2 peaks were occasionally read to
assist in establishing a Kc^ peak position, but
Ka 2 peaks are not reported.
At low angles, Kofj and Ka2 peaks were unre
solved for both the sample and the internal stan
dard. The internal standard corrections were
established from the theoretical values for Kc^
and were applied to the unresolved low angle peaks,
as well as to the resolved Kofj peaks in the higher
angle regions. In general, if the internal stan
dard correction varied along the length of the
pattern, linear interpolations were used.
Structure, lattice constants. The space
group symbols are given the short Hermann-Mauguin
notation. Also given are the space group numbers
listed in the International Tables for X-ray
Crystallography, Vol. I [1965~T
Orthorhombic cell dimensions are arranged ac
cording to the Dana convention b>a>c [Palache et
al., 1944]. Monoclinic and triclinic lattice con
stants are transformed if necessary in order to
follow the convention of Crystal Data [1973].
The lattice constant ratios, a/b, c/b, and c/a,
also follow the conventions used for the deter
minative ratios in Crystal Data [1973].

In most cases, preliminary lattice constants

were available in the literature, and were used
for the initial indexing and refinement. In cases
where such data were not available, other methods
were tried. If suitable single crystals were
available, the lattice constants were obtained by
use of a four-circle diffractometer. Axial ratios
and densities from Groth [1908] were sometimes
useful. Cell constants were also found in some
instances by use of the Visser computer program
[1969].
A least squares program [Evans et al., 1963]
assigned hk's and refined the lattice constants.
In indexing cubic patterns, for a given reflection
multiple hk's were not utilized in the refinement
or reported. Instead, the single appropriate in
dex having the largest h was used. Cell refine
ment was based only upon 26 , values which could
be indexed without ambiguity. The program mini
mized the value I(6 obs-6 ., ) 2 . The estimated
standard deviations (e.s.3. s) of the reciprocal
cell parameters were determined from the inverse
matrix of the normal equations. The program cal
culated the e.s.d.'s of the direct cell constants
by the method of propagation of errors. Since
1973, the e.s.d.'s derived by the computer program
have been increased by 50% in order to reflect
more truly the uncertainty in the lattice con
stants. A similar increase should also be applied
to all lattice constants published in this series
prior to 1973. The e.s.d.'s in the least signif
icant figures are given in parentheses following
the lattice constants.
For each d-value, the number of significant
figures was derived from the average error in
|26
- 26
| and the equation Ad/d = -(cot6)A6.
Witfi these conditions, the rounded value of d
agrees with its appropriate 26 within the average
error in 26. The value of A6 varies with the summetry and crystallinity of each sample.
Densities. These were calculated from the
specified lattice constants, the Avogadro number
6.0220943 x 10 23 [Deslattes et al., 1974] and
1977 atomic weights published by the International
Union of Pure and Applied Chemistry [1979].
Figure of merit. Several figures of merit
ratings are available for assessing indexed powder
data. M20 [de Wolff, 1968] is a criterion for the
reliability of the unit cell and indexing. A
value of M20 > 10 will guarantee the essential
correctness of the indexing provided there are
not more than 2 spurious lines 020 < 2) [de Wolff,
1968]. In general, patterns reported in this
publication had M20 > 20 and X = 0. M2 o is
reported if a cell was derived only through com
puter indexing from powder data, without further
confirmation.
The accuracy and completeness of measured interplanar spacings is conveniently reported as F^
[Smith and Snyder, 1979]. The format joshed in this
publication is FN = overall value (|A20|, N
),
where N, the number of observed reflections ^wli
chosen as 30, or the maximum number of lines of

the pattern if the entire pattern had fewer than

30 lines. The "overall value" is the figure of
rneritj_F.,, as defined by Smith and Snyder [1979],
and (A26| is the average absolute magnitude of
discrepancy between observed and calculated 20
values for each reported hkA. N posg is the number
of diffraction lines allowed in the space group,
up to the Nth observed and indexed line. Copositional lines such as the cubic 221 and 300 are
counted as one possible line.
Intensity measurements. The intensities of
the diffraction lines were measured as peak heights
above background and were expressed in percentage
of the strongest line. It has been found that
samples which give satisfactory intensity patterns
usually have an average particle size smaller than
10 pm, as recommended by Alexander et al. [1948].
In order to avoid the orientation effects which
occur when powdered samples are packed or pressed,
a sample holder was made that had in its top face
a rectangular cavity which extended to one end of
the holder. To prepare the sample, a glass slide
was clamped over the top face to form a temporary
cavity wall (see Figure 1), and the powdered sam
ple was allowed to drift into the end opening
while the holder was held in a vertical position.
With the sample holder returned to a horizontal
position, the glass slide was carefully removed
so that the sample could be exposed to the x-ray
beam (see Figure 2). As a general practice, ap
proximately 50 volume percent of finely ground
silica-gel was added as a diluent. Occasionally,
a rotating sample holder was used.

Figure 1.

As a check on reproducibility, each sample

was mounted at least 3 times. The intensity values
were determined for each of the mountings. The
reported I re ^value for each observed spacing is
the average of 3 or more observations and is
rounded to the nearest integer. Theta-compensating
(variable divergence) slits were sometimes used to
gather the intensity data. In that case, the
average I(comp) for each spacing was converted to
an equivalent fixed slit value, using the approxi
mate equation:
Figure 2.
I(fixed) =

sin 6

The estimated standard deviation, a, in the

relative intensity values was calculated from the
values of the,five strongest lines, excluding the
line with I
=100.

and

a=

where
m is the number of strong lines
(usually 5), and
n is the number of independent
observations i, per line.

Where conversion of intensities for effects of

theta-compensating slits was required, each a. was
multiplied by the conversion factor
f - I(comp)
I(fixed)
Reference intensity ratio, I/I
corundum
The reference intensity ratio, I/I , has been de
fined as the direct ratio of the intensity of the
strongest reflection of a sample, to the inten
sity of the 113 (hexagonal) reflection of corundum
(a-Al 203 ) [Visser and de Wolff, 1964]. In this
publication the ratios I/I are tabulated for cop
per K(XI radiation, for a 1:1 mixture by weight of
the sample and corundum, I/I was determined only
for very common phases.
A procedure has been adopted, to achieve
greater statistical accuracy [Hubbard and Smith,
1977]. For any weight fractions of sample and
corundum, X and X (X = 1-X ), the intensities
' s
c
s
c '

for reflection h of the sample and k of corundum

were measured for several combinations of h and
k usually within the same region of 26, to pro
vide indications of possible preferred orienta
tion, extinction, or other systematic errors. The
reference intensity ratio is then given by

xe

i rel (h)

i c (k)

where (h ) indicates specifically which reflec

tion was chosen for tabulation purposes. For each
of our patterns, the reflection (h ) will be the
one with I = 100 since only copper radiation was
used. Typically, at least 3 sets of reflections
and 2 mountings of the mixture were used to obtain
6 or more values for the reference intensity ratio,
I/I . These values yielded, the tabulated average C<I/I >. From these data, the standard devia
tion, a, was obtained from

T2

n(n-l)

where n was the number of measurements of the

reference intensity ratio. The standard deviation
in the least significant figures is given in paren
theses.
Format of tables. The printing of the data
has been computerized. Superimposed reflections
are treated in one of two ways. If a d-spacing
has only two possible indices, an M is added to
the d-spacing which is repeated on the next line,
but with the second index. However, if there are
more than two possible indices, a plus sign is
used in like manner. In both cases, the composite
intensity is printed only once and aligned with
the first reflection. The symbol "1L" in the in
tensity column is used to indicate "less than 1".
UNITS
o

In this publication the Angstrom unit (1A =

100 pm) was selected for presentation of the dspacings and lattice parameters . This maintained
consistency with (a) the earlier publications of
Standard X-ray Diffraction Powder Patterns (Cir
cular 539 and Monograph 25), (b) the publications
of the International Union of Crystallography, and
(c) the continuing publication of cards and search
manuals of the PDF (now consisting of over 35,000
entries). The PDF search manuals are based on the
d-spacings in A of the 3 strongest lines. Consis
tent with the choice of the X unit for length, the
volume of the unit cell is expressed in &3 (1A3 =
1 x 10~30 m3 ) . Densities are reported in g/cm3
(1 gm/cm3 = 10 3 kg/m3 ).
ACKNOWLEDGMENTS
We would like to thank Carolyn Wingo of the
JCPDS Associateship for her assistance, particu
larly for keyboarding the data and helping with
the proofreading of this manuscript. Appreciation
is also expressed to the Text Editing Facility of
the National Measurement Laboratory of NBS for
typing the manuscript.

REFERENCES
Alexander, L., Klug, H. P., and Kummer, E. (1948).
J. Appl. Phys., 19, No. 8, 742.
Crystal Data (1973). (3rd Ed. Published jointly
by the U.S. Department of Commerce, National
Bureau of Standards, Washington, D.C. 20234,
and the Joint Committee on Powder Diffraction
Standards, 1601 Park Lane, Swarthmore, PA
19081).
Deslattes, R. D. and Henins, A. (1973). Phys. Rev.
Lett. 3JL, 972.
Deslattes, R. D., Henins, A., Bowman, H. A.,
Schoonover, R. M., Carroll, C. L., Barnes,
I. L., Machlan, L. A., Moore, L. J., and
Shields, W. R. (1974). Phys. Rev. Lett. 33,
463.
Evans, H. T., Jr., Appleman, and Handwerker, D. S.
(1963). Report //PB216188, U.S. Dept. of Com
merce, National Technical Information Center,
5285 Port Royal Rd., Springfield, VA 22151,
$3.50.
Groth, P. (1908). Chemisehe Kristallographie H
(Engelmann, Leipzig, Germany).
Hartshorne, N. H. and Stuart, A. (1970). Crystals
and the Polarizing Microscope (Edward Arnold
and Co., London, 4th Ed.)
Hubbard, C. R. and Smith, D. K. (1977). Advances
in X-ray Analysis, (Plenum Publishing Corpora
tion, 227 West 17th St., New York, NY 10011),
20, p. 27.
Hubbard, C. R., Swanson, H. E., and Mauer, F. A.
(1975). J. Appl. Crystallogr. 8, 45.
International Tables for X-ray Crystallography,
I (1965). (The Kynoch Press, Birmingham,
Eng.).
International Union of Pure and Applied Chemistry
(1979). Pure Appl. Chem. M, No. 2, 407.
ISCC-NBS Centroid Color Charts, SRM 2106 (1965), or
Color Kit, SRM 2107 (1977) which contains both
SRM 2106 and Color, an NBS Special Publica
tion #SP 440. These can be obtained from the
National Bureau of Standards, Office of Stan
dard Reference Materials, Washington, DC
20234. Current prices will be quoted on re
quest.
Palache, C., Berman, H., and Frondel, C. (1944).
Dana * s System of Mineralogy (John Wiley and
Sons, New York, 7th Ed.), I, 6.
Smith, G. S. and Snyder, R. L. (1979). J. Appl.
Crystallogr. 12, 60.
Standard Reference Material 640 (1974), Silicon
Powder X-ray Diffraction Standard, obtainable
from the National Bureau of Standards, Office
of Standard Reference Materials, Washington,
DC 20234. Current price will be quoted on
request.
Swanson, H. E., Morris, M. C., and Evans, E. H.
(1966). Natl. Bur. Stand. U.S. Monogr. 25,
Sec. 4, 3.
Visser, J. W. and de Wolff, P. M. (1964). "Abso
lute Intensities," Report 641.109, Technisch
Physische Dienst, Delft, Netherlands.
Visser, J. W. (1969). J. Appl. Crystallogr. 2,
89.
Wolff, de, P. M. (1968). J. Appl. Crystallogr. ].,
108.

Aluminum Iron, AIFe

Synonym
Iron aluminum

CuKor- \ = 1.540598 A; temp 25 1 C

Internal standard W, a = 3 16524 A

CAS registry no.

12042-17-0
Sample
The sample was obtained from the Metallurgy
Section of the National Bureau of Standards.
It had been heated to 800 C for 5 days and
cooled to room temperature in 4 days.
Color
Dark gray
Structure
Cubic, Pm3m (221), 2=1. The structure was
determined by Bradley and Jay [1932].
Lattice constant of this sample
a = 2.8954(2) A
0
Volume
24.274 A3
Density
(calculated) 5.666 g/cm3
Figure of merit
F 10 = 52.9(0.017,11)
Additional pattern
PDF card 1-1257 [Hanawalt et al. 1938)
References
Bradley, A. J. and Jay, A. H. (1932).
Roy. Soc. Ser. A, 136, 210.

Proc.

Hanawalt, J. D., Rinn, H. W., and Frevel, L. K.

(1938). Ind. Eng. Chem. Anal. Ed. 10, 457.

d(A)

T rel

26( )

hk

a = 2
2 .899
2 .048
1 .6722
1 .4472
1 .2949

8
100
3
13
2

1
1
1
2
2

0
1
1
0
1

0
0
1
0
0

30. 82
44. 18
54. 86
64. 32
73. 01

1 .1820
1 .0238
.9650
.9157
.8358

24
8
1
9
4

2
2
3
3
2

1
2
0
1
2

1
0
0
0
2

81. 34
97. 59
105. 92
114. 54
134. 33

Ammonium Cerium Nitrate, (NH4 )2 Ce(N03 ) 6

Synonym
Dianwnonium hexanitratocerate

d(A)

CAS registry no.

16774-21-3

Sample
The sample was obtained from the Fisher
Scientific Co., Fair Lawn, NJ. The
material is a strong oxidant, deliquescent,
and unstable, causing some inconsistency
in intensity measurements.
Color
Unground, vivid orange
Ground, vivid yellow
Structure
Monoclinic, P2i/n (14), 2=2. The
structure was determined by Beineke and
Delgaudio [1968].
Lattice constants of this sample
a = 13.069(3) A
b = 6.8461(12)
c = 8.1732(16)
P = 91.36(2)
a/b = 1.9090
c/b = 1.1938

26()

3.879
3.807
3.676
3.511
3.408

6
5
27
9
26

-3
3
3
0
-1

0
0
1
1
1

1
1
0
2
2

22.91
23.35
24.19
25.35
26.13

3.375M
3.375M
3.328
3.269
3.160

23

-3
1
3
4
0

1
1
1
0
2

1
2
1
0
1

26.39
26.39
26.77
27.26
28.22

3.116
3.068
3.032
2.946
2.852

23
28
9
15
1

-2
2
2
4
-2

1
1
2
1
2

2
2
0
0
1

28.62
29.08
29.44
30.31
31.34

2.791
2.757M
2.757M
2.703
2.654

9
6

-4
-3
4
3
1

1
1
1
1
0

1
2
1
2
3

32.04
32.45
32.45
33.11
33.75

0
-4
-1
-3
1

2
0
2
2
2

2
2
2
1
2

34.16
34.76
34.76
34.94
34.94

2.623
2.579M
2.579M
2.566M
2.566M

Volume
0
731.06 A 3
Density
(calculated) 2.490 g/cm 3

1
1
2
0
2

35.24
36.33
36.69
36.79
37.10

2.377
2.364
2,343
2.335
2.285

22
23
15
11
8

-2
4
2
-3
3

1
2
1
0
0

3
0
3
3
3

37.81
38.04
38.39
38.53
39.40

2.279
2.260
2.248
2.197
2.177

6
6
15
6
7

-4
4
1
0
6

2
2
3
3
0

1
1
0
1
0

39.51
39.86
40.08
41.04
41.44

12 .63
12 .88
13 .53
14 .59
16 .88

2.132
2.110
2.098
2.077M
2.077M

3
15
10
10

0
-1
1
2
5

2
2
2
3
2

3
3
3
1
0

42.37
42.83
43.09
43.53
43.53

18 .08
18 .28
18 .74
21 .54
21 .85

2.060
2.031
2.021+
2.021+
2.000

7
12
33

-4
4
-5
3
6

2
2
2
3
1

2
2
1
0
1

43.92
44.57
44.80
44.80
45.30

26( )

a = 6
100
75
58
78
72

-1
1
2
1
0

4. 902
4. 849
4. 731
4. 122
4. 064

6
5
3
38
46

-1
1
2
-2
2

0
0
0

1
1
0
0
1

1
1
1 1
1 1
1 0
1 1
1 1

17

2
0
2
1
2

7. 00
6. 87
6. 54
6. 07
5. 248

8
13

3
5
-2
5
2

CuKa- A = 1.540598 A; temp 25 1 C

Internal standard Si, a = 5 43088 A

hk

11
11

11
11
23
21
23

Reference
Beineke, T. A. and Delgaudio, J. (1968).
Inorg. Chem. 7, 715.

irel

6
3
1L

2.545
2.471
2.447
2.441
2.421

Figure of merit
F30 = 42.9(0.016,43)

d(A)

hkJK
a = 6

11

Ammonium Cerium Nitrate (NH4 ) 2 Ce(N03) 6 - (continued)

d(A)

x rel

'

hkil

26( )

a = 6
1 .978
1 .965M
1 .965M
1 .941M
1 .941M

8
10

1 .929M
1 .929M
1 .901M
1 .901M
1 .864M

10

1 .864M
1 .836
1 .829M
1 .829M
1 .818

8
4
6
8
10

4
-3
1
-1
-6

1
3
3
1
0

3
1
2
4
2

45 .83
46 .15
46 .15
46 .76
46 .76

1
-3
3
2
5

1
2
2
3
0

4
3
3
2
3

47 .07
47 .07
47 .82
47 .82
48 .83

2
6
-7
-4
4

1
2
0
3
3

4
0
1
1
1

48 .83
49 .61
49 .83
49 .83
50 .14

2
2
1
2
3

3
1
4
3
3

50 .68
50 .68
51 .59
51 .59
52 .28

1 .800+
1 .800+
1 .770M
1 .770M
1 .7484

10

-4
-6
3
4
0

1 .7135
1 .7096
1 .7026
1 .6835
1 .6671

4
3
2
4
5

4
-4
-2
2
-5

0
3
2
3
2

4
2
4
3
3

53 .43
53 .56
53 .80
54 .46
55 .04

1 .6615+
1 .6615+
1 .6557

4
-7
2

1
1
4

4
2
0

55 .24
55 .24
55 .45

Ammonium Tin Fluoride, NH4 SnF3

Synonyms
Ammonium fluorostannite
Ammonium tin trifluoride
Ammonium trifluorostannate

CuKcr 1 A - 1.540598 A; temp, 25 1

Sample
The sample was obtained from ICN Pharmaceuticals, Inc., Plainview, NY.

d(A)

Color
Pale yellow green

5.559
5.311
4.759
3.422
3.305

Optical data
Uniaxial O) N = 1.564, NQ = 1.536
Structure
Hexagonal, R*, Z = 6. The cell was measured
on a single crystal diffractometer by
V. Himes at NBS. The value of Z was assumed
from the reported density. Donaldson and
O'Donoghue [1964] reported this phase as
being orthorhombic.
Lattice constants of this sample
a = 6.8426(9)A
c = 15.925(3)
c/a = 2.3273
0
Volume
645.73 A3
Density
(calculated) 2.989 g/cm3
Figure of merit
F30 = 61.2(0.013,38)
Additional pattern
PDF card 16-747 [Donaldson and O'Donoghue,
1964J
Reference
Donaldson, J. D. and O'Donoghue, J. D.
(1964). J. Chem. Soc. 1964, 271.

Internal standard Si, a = 5 .43088 A

I" 1
a =
49
100
17
84
70

hk

29( )

1
0
0

1
1

0
0
1
1
0

1
3
2
0
4

15.93
16.68
18.63
26.02
26.96

1
3
6
4
1

30.67
31.06
33.73
37.81
40.66

2.913
2.877
2.655
2.377
2.217

20
54
1L
50
16

0
0
0
2

2
1
0
2
1

2.170
2.154
2.124
2.097
1.975

5
1
17
14
17

2
1
1
1
3

0
2
0
1
0

5
2
7
6
0

41.59
41.90
42.53
43.10
45.92

1.951
1 . 8865
1.8515
1.8326
1.8045

39
17
16
3
15

2
0
3
1
0

1
1
0
2
2

4
8
3
5
7

46.50
48.20
49.17
49.71
50.54

1.7102
1.6530
1.6357
1.6288
1.5959

9
8
7
8
17

2
2
1
2
2

2
0
3
2
1

0
8
1
3
7

53.54
55.55
56.19
56.45
57.72

1.5854
1.5376
1.5188
1.4878
1.4376

3
3
9
6
2

3
1
1
1
2

0 6
0 10
3 4
2 8
2 6

58.14
60.13
60.95
62.36
64.80

1.4064

1 11

66.42

Arsenic Bromide, AsBr3

Synonym
Arsenic tribromide
obs

J obs

GAS registry no.

7784-33-0
Sample
The sample was obtained from the Alfa Prod
ucts, Thiokol/Ventron Division, Danvers, MA.
The compound decomposed rapidly in the atmo
sphere. Therefore, both experimental and
calculated intensities are reported. Both
gave the same 6 strongest lines, but their
order was different. The calculated in
tensities are based on Trotter's structure.
Color
Colorless
Structure
Orthorhombic, P2 1 2 1 2 1 (19), 2=4. The
structure was determined by Trotter [1965]
and Singh and Swaminathan [1967].
Lattice constants of this sample
a = 10.240(3) A
b = 12.182(2)
c = 4.3226(9)
a/b = 0.8406
c/b = 0.3551
Volume
0
539.22 A3

Figure of merit
F30 = 42.8(0.016,44)
References
Singh, A. K. and Swaminathan, S. (1967).
Z. Kristallogr. Kristallgeometrie Kristallphys. Kristallchem. 124, 375.
Trotter, J. (1965). Z. Kristallogr. Krist
allgeometrie Kristallphys. Kristallchem.
122, 230.

CuKcfj \ = 1.540598 A; temp. 25 1

J obs

7. 85
6. 09
5. 242
5. 128
4. 719

1L
30
6
14
8

hkA

'calc
peaks
5
34
3
19
12

12
10
10
65
25

18
16
11
100
25

0
1
2
1
0

1
0
2
1
2

1
1
0
1
1

21.78
22.32
22.68
23.50
25.23

3.335
3.290
3.185M
3.185M
3.043

14
18
35

12
20
53

100

48

1
3
2
2
0

2
1
1
3
4

1
0
1
0
0

26.71
27.08
27.99
27.99
29.33

2.974
2.960
2.904
2.843
2.680

70
40
65
55
10

76
78
50
10

3
0
2
1
3

2
3
2
3
0

30.02
30.17
30.76
31.44
33.41

2.616M
2.616M
2.562M
2.562M
2.504

12

10

1
3
3
0
1

25

3
3
2
4
4

34.25
34.25
35.00
35.00
35.83

2.419
2.370
2.273
2.237
2.202M

20
12
4
8
6

14
6
3
7
4

1
1
3
3
4

4
5
4
3
0

17

18
5

16
2

2
4
4
0
0

5
1
3
0
5

18

0
2
1

40.96
41.64
41.64
41.75
42.56

2.078
2.037
2.011
1.991M
1.991M

25
6
12
10

13
3
8
4

1
0
3
1
2

5
2
4
6
0

1
2
1
0
2

43.52
44.44
45.05
45.52
45.52

1.983
1.961M
1.961M
1.941
1.936

15
20

10
12

8
12

3
2
4
5
4

5
5
4
2
3

0
1
0
0

45.72
46.27
46.27
46.76
46.90

1.892
1.888
1.875
1.849
1.838

8
8
6
14
8

6
3
13
3

2
2
1
5
0

2
6
3
0
6

2
0
2
1
1

48.05
48.15
48.51
49.23
49.55

1
0
1
2
2

1
2
2
0
1

26 .
obs
0
0
0
0
0

1.826
1.808
1.805
1.785
1.763

6
16
14
6
35

3
9
4
27

3
1
3
4
0

0
6
1
4
4

2
1
2
1
2

49.89
50.42
50.51
51.12
51.82

1.7453
1.7294
1.7159

65
25
8

47
12
3

3
2
1

6
6
7

0
1
0

52.38
52.90
53.35

22

1
1
1
1

0
0

1
0
0

1
1

37.14
37.93
39.62
40.29
40.96

Internal standard W, a = 3. 16524 A

dobs

4.077
3.980
3.917
3.783
3.527

2.202M
2.167M
2.167M
2.162
2.122

Density
(calculated) 3.896 g/cm3

28 ,
obs

h k

I calc
peaks

11. 26
14. 53
16. 90
17. 28
18. 79

- Calc. peak unresolved

Barium Aluminum Titanium Oxide,

Sample
The requisite materials were ground up in
the ratio of 1m BaO, 1m A1 203 and 4.5m Ti02 ,
heated at 800 C for 26 hrs at 1000 C for
5 days and at 1200 C for 7 days with
periodic grindings.

. 2 3 A1 2
CuKcfj \ = 1.540598 A; temp. 25 1

Internal standard Ag,

3 = 4 .08651

hk

20( )

d(A)

Color
Grayish white

jrel
a = 2

Structure
Tetragonal, I4/m (87), Z = 1. The compound
is of the hollandite structure type. Its
unit cell was determined by Roth [1981] on
the basis of a related hollandite type
phase, whose structure was determined by
Sinclair et al. [1980].
Lattice constants of this sample
a = 9.9619(5) A
c = 2.9242(3)
c/a = 0.2935
Volume
0
290.20 A3
Density
(calculated) 4.330 g/cm 3
Figure of merit
F30 = 76.8(0.011,35)
References
Roth, R. S. (1981) private communication.
Sinclair, W., McLaughlin, G. M., and
Ringwood, A. E. (1980). Acta Crystallogr.
B 36, 2913.

10

4.973
3.524
3.153
2.805
2.490

3
21
100
7
3

2
2
3
1
4

0
2
1
0
0

0
0
0
1
0

17.82
25.25
28.28
31.88
36.04

2.445
2.228
2.194
2.0082
1.9542

34
24
39
8
9

2
4
3
3
5

1
2
0
2
1

1
0
1
1
0

36.73
40.45
41.10
45.11
46.43

1.8629
1 . 7603
1.7084
1.6602
1,6462

25
5
5
20
2

4
4
5
6
4

1
4
3
0
3

1
0
0
0
1

48.85
51.90
53.60
55.29
55.80

1.5748
1.5631
1.4618
1.4317
1.4288

3
30
7
3
6

6
5
0
1
6

2
2
0
1
1

0
1
2
2
1

58.57
59.05
63.60
65.10
65.25

1.4087
1 . 4030
1.3736
1 . 3260
1.3239

2
3
21
6
5

5
2
5
3
6

5
0
4
1
3

0
2
1
2
1

66.30
66.60
68.22
71.03
71.16

1.3085
1.2798
1.2609
1.2413
1.2396

8
1L
3
2
2

7
7
4
3
7

3
0
0
3
2

0
1
2
2
1

72.13
74.01
75.31
76.71
76.84

1.2224
1.2082
1.1740
1.1707
1.1581

1
1
4
3
2

4
8
6
5
7

2
2
6
1
5

2
0
0
2
0

78.12
79.22
82.01
82.29
83.39

1.1383
1.1136
1.0999
1.0972
1.0830

2
2
4
6
2

7
8
9
6
8

4
4
1
0
3

1
0
0
2
1

85.17
87.53
88.91
89.18
90.67

1.0715
1.0352
1.0135

1L
1L
5

6
9
9

2
0
2

2
1
1

91.93
96.16
98.93

Barium Manganese Oxide, BaMn04

Synonym
Barium manganate

Sample
The sample was prepared at NBS using the
procedure given by Schlesinger and Siems
[1924] and Jellinek [I960].
Color
Blackish purple
Structure
Orthorhombic, Pbnm (62), Z = 4, isostructural with BaS0 4 . The structure was
studied by Jellinek [I960].
Lattice constants of this sample
a = 7.3360(9) A
b = 9.1101(12)
c = 5.4982(9)
a/b = 0.8053
c/b = 0.6035
Volume
0
367.45 A3
Density
(calculated) 4.633 g/cm3
Figure of merit
F 30 = 78.6(0.011,36)
Additional pattern
PDF card 1-569 [Hanawalt et al., 1938]
References
Hanawalt, J. D., Rinn, H. W., and
Frevel, L. K. (1938). Ind. Eng. Chem.
Anal. Ed. 10, 457.
J. Inorg. Nucl. Chem.

Schlesinger, H. I. and Siems, H. B. (1924).

J. Am. Chem. Soc. 46, 1965.
o

CuKoL^ X = 1.540598 A; temp . 25 1 c

0
Internal standard W, a = 3.16524 A
d(A)

26()

a = 3

CAS registry no.

7787-35-1

Jellinek, F. (1960).
13, 329.

hk

d(A)

T rel

hk

26( )

a = 3
5 .716
4 .560
4 .403
3 .962
3 .870

2
6
13
37
6

1
0
1
1
1

1
2
0
1
2

0
0
1
1
0

15. 49
19. 45
20. 15
22. 42
22. 96

3 .670
3 .507
3 .402
3 .164
2 .892

35
100
70
100
66

2
0
2
1
2

0
2
1
2
1

24. 23
25. 38
26. 17
28. 18
30. 89

1
0

11

2.858
2.807
2.750
2.535
2.499

3
13
45
13
3

2
1
0
2
1

2
3
0
2
3

0
0
2
1
1

31.27
31.86
32.53
35.38
35.91

2.478
2.361
2.353
2.340
2.277

2
9
11
5
2

1
3
0
2
0

1
1
2
3
4

2
0
2
0
0

36.22
38.09
38.22
38.44
39.55

2.240
2.200
2.174
2.170
2.151

20
4
76
75
53

1
2
1
3
2

2
0
4
1
3

2
2
0
1
1

40.23
41.00
41.51
41.59
41.96

2.138
2.104
1.9642
1.9051
1.8340

46
13
7
24
6

2
0
1
3
4

1
4
3
3
0

2
1
2
0
0

42.23
42.95
46.18
47.70
49.67

1.7982
1.7683
1 . 7444
1.7058
1.7011M

13
3
3
28
26

4
1
1
1
4

1
5
1
4
2

0
0
3
2
0

50.73
51.65
52.41
53.69
53.85

1.7011M
1.6838
1.6566
1.6251
1.6136

4
10
4
7

0
1
1
4
2

2
5
2
2
1

3
1
3
1
3

53.85
54.45
55.42
56.59
57.03

3
2
2
4
4

3
5
2
0
3

2
1
3
2
1

58.98
58.98
59.93
60.63
61.39

1
5
6
5
2

2
2
0
0
2

61.57
62.38
62.38
63.61
64.33

1.5648M
1.5648M
1.5422
1.5261
1.5090

22

1.5050
1.4874M
1.4874M
1.4616
1.4470

5
3
8
8

4
1
1
3
4

1.4431
1.4350
1.4289
1.4174
1.4119

9
10
3
4
8

2
1
4
5
3

3
6
4
0
5

3
1
0
1
1

64.52
64.93
65.24
65.84
66.13

1.3965M
1.3965M
1.3823
1.3596
1.3535

5
3
4
2
5

2
2
4
6
2

0
3
1
1
1

66.95
66.95
67.73
69.02
69.38

1
2
5

5
2
5

Barium Neodymium Titanium Oxide, BaNd2 Ti 30 10

Synonym
Barium neodymium titanate
Sample
Stoichiometric amounts of
Ti02 were ground together
1200 C for one day, then
days and finally at 1500
intermittent grindings.

\ = 1.540598 A; temp. 25 1

CuKcf

C
o

Internal standard Si, a = 5.43088 A

BaO, Nd203 , and
and heated at
at 1425 C for 6
C for 7 days with

d(A)

I rel
a =

Color
Very pale violet
Structure
Orthorhombic Amam (63) Z = 4 [Kolar et al.,
1981]. The structure is pseudo-orthorhombic,
but the true symmetry is monoclinic with a
double "c" [Olsen et al., 1981].
Lattice constants of this sample
a = 7.624(1) A
b = 28.164(3)
c = 3.8654(6)
a/b = 0.2707
c/a = 0.1372
0
Volume
829.99 A 3
Density
(calculated) 5.838 g/cm3
Figure of merit
F3 0 = 58.7(0.012,43)
Additional pattern
Kola* et al. [1981]
Reference.
Olsen, A., Goodman, P., and Roth, R. S.
(1981). Int. Union Crystallogr. Meeting,
Ottawa.
Kolar, D., Gabersfek, S., Volavsek, B.,
Parker, H. S., and Roth, R. S. (1981).
J. Solid State Chem. 38, (2), 158.

26( )

14.02
5.172
4.687
3.994
3.829

1L
1L
64
9
18

0
1
0
1
0

2
4
6
6
1

0
0
0
0
1

6.30
17.13
18*92
22.24
23.21

3.811
3.573
3.520
3.420
3.239

1L
1
1L
14
13

2
0
0
1
1

0
3
8
1
3

0
1
0
1
1

23.32
24.90
25.28
26.03
27.52

0
1
0
0

27.90
27.98
30.19
31.77
32.11

3.195
3.186
2.958
2.814
2.785

23
24
100
13
60

1 8
0 5
2 6
0 10
0 7

2.701
2.641
2.616
2.587
2.444

45
8
7
9
5

2 1
1 10
1 7
2 8
2 5

2.346
2.318
2.250
2.134
2.118

43
8
41
3
6

0 12
1 9
2 7
0 11
3 1

2.070
2.055
2.051
2.012
1.998

8
10
10
51
22

3 3
1 11
2 9
0 14
2 12

1
1
1

1.9330
1.9069
1.8898M
1.8898M
1.8351

18
21
12
1L

0 0
4 0
0 13
4 2
1 13

1.7873
1.7660
1.7600
1.7572
1 . 7234M

7
8
6
5
5

1.7234M
1.7153
1.6935M
1.6935M
1.6352M
1.6352M
1.6182
1.5979
1.5941
1.5735

12

hk4
5

1
1
1

0
0

1
1
1
1
1

0
0
2
0

33.14
33.91
34.25
34.65
36.74
38.33
38.82
40.04
42.31
42.65
43.69
44.02
44.12
45.03
45.35

46.97
47.65
48.11
48.11
49.64

0 6
4 6
0 16
3 9
3 12

2
0
0
1
0

51.06
51.72
51.91
52.00
53.10

2 0
1 16
0 8
2 13
4 5

2
0
2
1
1

53.10
53.37
54.11
54.11
56.21

24
3
3
20

3 11
2 6
2 16
0 10
4 7

1
2
0
2
1

56.21
56.85
57.64
57.79
58.62

5
49

1
0

Barium Neodymium Titanium Oxide, BaNd2Ti 30 10 - (continued)

o

26( )

hk

d (A)
a = 5
1 .5650
1 .5330
1 .5231
1 .4926M
1 .4926M

7
4
3
7

0
1
0
1
0

18 0
18 0
17 1
17 1
12 2

58 .97
60 .33
60 .76
62 .14
62 .14

1 .4797
1 .4476M
1 .4476M
1 .4079
1 .3938

7
7

4
2
3
0
0

12
18
16
20
14

0
0
0
0
2

62 .74
64 .30
64 .30
66 .34
67 .10

1 .3892
1 .3841M
1 .3841M
1 .3569
1 .3421

10
22

2
0
4
4
4

12
19
14
0
13

2
1
0
2
1

67 .35
67 .63
67 .63
69 .18
70 .05

1 .3327M
1 .3327M
1 .3213
1 .3036
1 .3011

4
3
2
4
2

4 2
18 0
20 0
6 2
19 1

70 .62
70 .62
71 .32
72 ,44
72 .60

3
8

8
4

12
8
10

13

Benzidine Hydrochloride, C 12 H 12 N2 '2HC1

Synonym
(l-l-Biphenyl)-4,4-diamine dihydrochloride

d(A)

GAS registry no.

531-85-1
Sample
The sample was obtained from Mallinckrodt
Chemical Co., St. Louis, MO. Only one
intensity pattern was made because the
compound is carcinogenic.
Color
Colorless
Structure
Triclinic, PI (2), 2 = 1. The structure was
determined by Koo et al. [1942].
Lattice constants of this sample
a
b
c
a
P
Y

=
5.760(2) A
= 12.585(3)
=
4.3533(11)
= 95.55(3)
= 98.67(3)
= 101.55(3)

a/b = 0.4577
c/b = 0.3459
Volume
0
302.86 A 3
Density
(calculated) 1.409 g/cm3

Additional pattern
PDF card 7-744 [Polytechnic Inst. of Brooklyn,
Brooklyn, NY, 1955]
Reference
Koo, C. H., Kirn, H. S., and Shin, H. S. (1972).
Daehan Hwahak Hwoejee (J. Korean Chem. Soc.)
16, 18.
o

CuKa \ = 1.540598 A; temp . 25 1

i

C
0

Internal standard W, a = 3 .16524 A

d(A)
12 .18
5 .545
4 .689
4 .648
4 .263

I rel
10
80
8
16
10

hk
0
1
1
-1
0

1
0
1
2
0

26( )
0
0
0
0
1

7.25
15.97
18.91
19.08
20.82

14

hk

26()

4.201
3.870
3.734
3.583
3.520

30
6
100
18
6

0 -1
0 1
0 -2
-1 1
-1 -1

1
1
1
1
1

21.13
22.96
23.81
24.83
25.28

3.301
3.208
3.160
3.128M
3.128M

6
45
25
30

0 2
1 -1
0 -3
1 0
-1 -2

1
1
1
1
1

26.99
27.79
28.22
28.51
28.51

3.072
2.987
2.963
2.882
2.848

50
14
8
10
12

1 -2
1 3
-1 4
1 1
-2 1

1
0
0
1
0

29.04
29.89
30.14
31.00
31.38

2.774
2.703
2.655
2.590
2.567

25
10
2
6
8

0 3
-1 -3
0 -4
2 1
1 2

32.25
33.11
33.73
34.60
34.92

2.538
2.474
2.461
2.453
2.444M

10
4
8
8
10

-2 0
1 -4
1 4
-2 2
0 5

4
12

-1 5
-2 -1
2 2
0 4
-2 -2

2.444M
2.429
2.342M
2.342M
2.249

Figure of merit
F 30 = 50.8(0.013,33)

I rel

0
0

1
1

35.33
36.28
36.48
36.61
36.75
36.75
36.98
38.41
38.41
40.06

2.172
2.150
2.129
2.120
2.104

4
4
8
10
8

1
0
2
-1
-1

-5
-1
-3
0
-1

2
1
2
2

41.54
41.99
42.43
42.61
42.96

2.076
2.056
2.046
2.037
2.012M

6
6
10
10
2

1 5
0 1
-2 -3
0 6
-1 -5

0
2
1
0
1

43.56
44.00
44.24
44.43
45.03

2.012M
2.003
1.939
1.9179M
1.9179M

2
2
2

0
2
0
1
-1

5
-4
-6
-1
-3

1
1
1
2
2

45.03
45.24
46.82
47.36
47.36

1.9103
1.8850
1.8795
1.8636
1.8473M

2
2
2
4
6

1 -6
1 0
-2 5
2 4
-2 6

1
2
1
0
0

47.56
48.24
48.39
48.83
49.29

1.8473M
1.8431M
1.8431M

-2 -4
-2 1
-3 1

1
2
1

49.29
49.41
49.41

Beryllium Nitride, Be3N2

CAS registry no.
1304-54-7

= 1.540598 A; temp. 25 1 C
Internal standard W, a = 3. 16524 A

Sample
The sample was obtained from Brush Beryllium
Co., Cleveland, OH. The lattice constant
reported here was obtained from a thin
sample on a slide smeared with high vacuum
grease. The peak positions from a thick
sample are shifted to lower angles result
ing from the penetration of the beam owing
to the unusually low absorption of the
sample. For a thick sample an apparent
lattice parameter of 8.150 Jt would be
expected for lines below 100 20.

d(A)

o =
4.072
3.328
2.351
2.178
2.037

Color
Light gray
Structure
Cubic, Ia3 (206), Z = 16. The structure
was determined by von Stackelberg and
Paulus (1933).
Lattic constant of this sample
a = 8.1482(2)A
Volume
0
540.98 A3
Density
(calculated) 2.704 g/cm3
Polymorphism
There is a hexagonal p-form, prepared by
heating the cubic form above 1400 C.
Figure of merit
F30 = 56.3(0.013,41)
Additional pattern
PDF card 4-786 [von Stackelberg and Paulus,
1933]
References
Eckerlin, P. and Rabenau, A. (1960).
Anorg. Allgem. Chem. 304, 218.

: rel

Z.

Stackelberg, von, M. and Paulus, R. (1933).

Z. Phys. Chem. Leipzig B22, 305.

15

hkJ?.

26( )

2'

1L
17
100
5
5

2
2
2
3
4

0
1
2
2
0

0
1
2
1
0

21.81
26.77
38.25
41.43
44.43

1.9210
1.8223
1.7367
1.5974
1.4883

1
1L
9
3
1L

4
4
3
4
5

1
2
3
3
2

1
0
2
1
1

47.28
50.01
52.66
57.66
62.34

1.4404
1.3973
1.3216
1.2571
1.2281

36
1L
2
2
10

4
4
6
5
6

4
3
1
4
2

0
3
1
1
2

64.66
66.91
71.30
75.58
77.69

1.2015
1.1088
1.0348
1.0186
1.0031

3
3
2
4
1L

6
7
6
8
7

3
2
5
0
4

1
1
1
0
1

79.75
88.01
96.21
98.26
100.34

.9741
.9604
.9472
.9347
.9228

1L
1L
1L
5
1L

6
6
7
6
7

5
6
4
6
5

3
0
3
2
2

104.52
106.65
108.82
110.99
113.18

.8998
.8890
.8787
.8589
.8404

1L
1L
1L
1L
4

8
8
7
7
9

3
4
6
5
3

3
2
1
4
2

117.76
120.11
122.49
127.48
132.87

.8316
.8231
.8148
.8068
.7990

12
1L
1L
1
1L

8
9
8
10
10

4
4
6
1
2

4
1
0
1
0

135.71
138.75
141.95
145.42
149.21

Bismuth Selenide (Paraguanajuatite), Bi 2Se3

CAS registry no.
12068-69-8

= 1.540598 A; temp, 25 1 C
Internal standard Ag, a = 4 08651 A

Sample
The sample was obtained from Alfa Products,
ThiokoI/Ventron Division, Danvers, MA.
Color
Unground, gray metallic
Ground, dark gray

Lattice constants of this sample

a = 4.1396(4)A
c = 28.636(4)
c/a = 6.9176
Volume 0
424.97 A3

26( )

9.56
4.777
3.559
3.478
3.205

7
19
16
3
7

0
0
1
0
1

0 3
0 6
0 1
1 2
0 4

9.24
18.56
25.00
25.59
27.81

3.183
3.040
2.698
2.534
2.386

4
100
1L
2
1L

0
0
0
0

0 9
1 5
0 7
1 8
0 12

28.01
29.36
33.18
35.39
37.67

2.238
2.106
2.070
1.9085
1.8998

26
9
26
8
8

1
1
0
1

0
1
1
0
1

10
11
0
15
6

40.27
42.92
43.70
47.61
47.84

1 0 13
0 2 1
2 0 2
0 2 4
1 1 9

48.43
51.00
51.34
52.58
52.72

1.8780
1.7893
1.7782
1.7392
1.7349

Density
(calculated) 7.676 g/cm3
Figure of merit
F30 = 54.4(0.012,44)

1.7102
1.6007
1.5909
1.5191
1.4770

Additional patterns
PDF card 12-732 [Thompson, R. M., Univ.
British Columbia, Vancouver, Canada]
Gobrecht et al. [1964]
Godovikov [1962]
References
Gobrecht, H., Boeters, K.-E., and Pantzer,
G. (1964). Z. Phys. 177, 68.

Nakajima, S. (1963).
24, 479.

hki

a = 1

Structure
Hexagonal, R3m (166), Z = 3, isostructural
with tetradymite, Bi 2Te 2S. The structure
of Bi 2Se 3 was refined by Nakajima [1963],
following earlier work by Semiletov and
Pinsker [1955).

Godovikov, A. A. (1962).
3, 44.

d(A)

Zh. Strukt. Khim.

J. Phys. Chem. Solids

Semiletov, S. A. and Pinsker, Z. G. (1966).

Dokl. Akad. Nauk SSSR 100, 1079.

16

2
2
1L
2
2
10
3
1
7
1

2
1
0
0
2

0
0
0
2
0

5
16
18
10
11

53.54
57.53
57.92
60.94
62.87

1
0
1
2
2

1.4029
1.3636
1.3296
1.3186
1.2667

7
1L
4
7
2

1
0
0
1
0

15
21
20
5
16

66.61
68.79
70.81
71.49
74.91

1.2245
1.2019
1.1950
1.1763

4
3
3
1L

2 1 10
1 2 11
3 0 0
0 1 23

77.96
79.72
80.27
81.82

Calcium Borate, CaB204

References
Fletcher, B. L., Stevenson, J. R., and
Whitaker, A. (1970). J. Amer. Ceram. Soc.
53, 95.

Synonym
Calcium metaborate
CAS registry no.
13701-64-9

Marezio, M., Plettinger, H. A., and

Zachariasen, W. H. (1963). Acta Crystallogr.
16, 390.

Sample
The sample was prepared by fusion of B203 and
CaC03 using a small excess of fused B203 . The
sample was quenched. Later, it was annealed in
a sealed platinum tube and held at 945 C for
31 days, then quenched again.

Marezio, M., Remeika, J. P., and Dernier,

P. D. (1969). Acta Crystallogr. 25B, 965.
Morris, M. C., McMurdie, H. F. , Evans, E. H.,
Paretzkin, B., de Groot, J. H., Weeks, B.,
and Newberry, R. J. (1978). Natl. Bur. Stand.
U.S. Monogr. 25, Sec. 15, 136.

Color
Colorless
Structure
Orthorhombic, Pnca (60), Z = 4. The structure
was determined by Marezio et al. [1963].

CuKor X - 1.540598 A > temp 25 1 C

Internal standard Ag a = 4 08651 A

Lattice constants of this sample

a = 6.2156(5) A
b = 11.607(13)
c = 4.2828(6)

d(A)

jrel

20(0)

hk

a = 2

a/b = 0.5355
c/b = 0.3690
0
Volume
308.98 A3
Density
(calculated) 2.702 g/cm3
Polymorphism
Calcium borate crystallizes in 4 forms,
depending on the pressures used in its
synthesis. Form I, described here, exists
up to pressures of 12 kbars. Form II occurs
at pressures of 12-15 kbars, form III at
15-25 kbars, and form IV at 25-40 kbars
[Marezio et al., 1969].
Figure of merit
F30 = 55.5(0.013,42)
Reference intensity
= 1.11(2)
.
I/I corundum
Additional patterns
PDF card 18-281 [Stojanovic,Inst. for Refrac
tories, Kraljevo, Yugoslavia]
PDF card 23-407 [Fletcher et al., 1970]
Morris et al. [1978]

5.809
3.372
3.109
3.002
2.902

15
38

18
100
16

2.872
2.739
2.607
2.308
2.241

2
2
0

2
1
0
1
4

0
1
0
0
0

15.24
26.41
28.69
29.74
30.79

12
12
27
1
10

0
2
1
2
1

3
2
3
2
4

1
0
1
1
1

31.12
32.67
34.37
38.99
40.21

2.140
2.120
2.040
2.009
1.938

25
20
3
8
36

0
2
0
0
1

0
4
5
2
5

2
0
1
2
1

42.20
42.62
44.38
45.08
46.83

1.9107
1.9009
1.8604
1.8420
1.7641

6
6
3
26
3

1
2
2
3
2

2
4
5
1
0

2
1
0
1
2

47.55
47.81
48.92
49.44
51.78

1.7438
1.7234
1.6959
1.6872
1.6804

4
3
2
5
6

2
0
1
2
3

1
4
6
2
3

2
2
1
2
1

52,43
53.10
54.03
54.33
54.57

1.6424
1.6048
1.5689
1.5533
1.5465

6
1
1L
1
1

2
2
3
4
0

6
3
4
0
7

0
2
1
0
1

55.94
57.37
58.81
59.46
59.75

2
2
4
1
3

6
4
2
7
1

1
2
0
1
2

60.29
61.50
61.77
61.77
62.87

1.5339
1.5066
1.5006M
1.5006M
1.4770

17

1
8
11
1L

Calcium Borate, CaB204 - (continued)

d(A)
a =
1.4538
1.4418M
1.4418M
1.3701
1.3393

20( )

hk*
2

1L
1

3
3
4
4
0

5
2
3
4
3

1
2
0
0
3

63.99
64.59
64.59
68.42
70.22

1.3143
1.3091
1.3036
1.2392
1.2365

1
3
5
1
1

2
1
2
3
4

8
3
6
7
5

0
3
2
1
1

71.76
72.09
72.44
76.87
77.07

1.2292
1.2114M
1.2114M
1.1912
1.1874

2
4

4
4
1
2
5

2
6
9
9
1

2
0
1
0
1

77.61
78.97
78.97
80.58
80.89

3 1
5 2
0 10
4 4
5 3

3
1
0
2
1

82.40
82.40
83.15
83.76
84.93

1 9
2 10
3 9
4 8
6 0

2
0
1
0
0

90.18
90.18
93.14
93.14
96.08

1L
3

5
6
6

2
0
0

96.08
96.58
98.12

1 . 1694M
1 . 1694M
1.1608
1.1539
1 . 1409
1.0877M
1.0877M
1.0607M
1.0607M
1.0359M
1.0359M
1.0318
1.0197

1
1

5
3
2
2
2
1
1
4

18

3
1
2

Calcium Cyanamide, CaCN2

CAS registry no.
27668-50-4

CuKa 1 X = 1.540598 A; temp. 25 1

d(A)

Structure
Hexagonal, R3m (166), Z = 3. The structure
of CaCN 2 was discussed by Bredig [1942] and
Dehlinger [1942]. It was determined by
Vannerberg [1962].
Lattice constants of this sample
a = 3.6961(6) A
c = 14.743(3)
c/a = 3.9888
0
Volume
174.42 A3
Density
(calculated) 2.288 g/cm3
Figure of merit
F20 = 43.2(0.018,26)
Additional patterns
PDF card 16-685 [Vannerberg, 1962]
J. Am. Chem. Soc.

Dehlinger, U. (1942). Z. Kristallogr.

Kristallgeometric Kristallphys. Kristallchem.
65. 286.
Vannerberg, N-G. (1962).
16, 2263.

I- 1

26( )

hk

a = 4

Color
Black

References
Bredig, M. A. (1942).
64. 1730.

Internal standard Si, a = 5 .43088 A

Sample
The sample was from Alfa Products, Thiokol/
Ventron Division, Danvers, MA. The sample
contained some graphite and the intensities
may be somewhat in error.

Acta Chem. Scand.

19

4.916
2.936
2.457
2.416
2.170

20
100
4

0
0
0

23
21

1.848
1.759
1.730
1.6389
1.5964

28
7
6
1
3

1.5648
1.4764
1.4686
1.4060
1.3390
1.2742
1.2288
1.1942
1.1491
1.1192

0
1
0
0
1

3
2
6
4
5

18.03
30.42
36.54
37.19
41.58

0
0

1
0
1
0
1

0
7
3
9
8

49.26
51.94
52.87
56.07
57.70

7
2
2
3
3

2
1
0
2
1

0 2
1 6
2 4
0 5
0 10

58.98
62.90
63.27
66.44
70.24

1
1
4
1
1

0
0

2 7
0 12
2 2
1 4
2 5

74.39
77.64
80.34
84.19
86.98

1
1

1
1

1
2
1

Calcium Iron Oxide, CaFe2 04

Synonym
Calcium ferrate

CuKOf 1 A. = 1.540598 A; temp. 25 1 C

Internal standard Si, a = 5.43088 A

GAS registry no.

12013-33-1

26( )

hkJB

d(A)

Sample
The sample was prepared from stoichiometric
amounts of CaC0 3 and Of-Fe203, blended by
grinding in an agate mortar. Initial heat
treatments at 600 , 800 , and 900 C for
periods of 20 hrs. were used to drive off
C02 from the mixture. Successively higher
heat treatments at 1050 C for 6% days and
1200 C for 13 days, with periodic grinding
were performed to ensure complete reaction.

a =

0
0
0
0
0

16.56
19.23
25.49
26.76
30.21

30.75
31.64
32.29
33.47
33.56

5.349
4.612
3.492
3.329
2.956

2
20
9
2
4

0
2
2
1
3

2
0
2
3
1

Color
Unground, dark grayish red
Ground, medium brown

2.905
2.826
2.770
2.675
2.668

6
2
4
85
100

0
2
1
0
3

1
3
1
4
2

Structure
Orthorhombic, Pnam (62), Z = 4, isomorphous
with p-calcium chromite. Structure deter
minations were made by Hill et al. [1956]
and by Decker and Kasper [1957].

2.572
2.527M
2.527M
2.331
2.314

4
70

1
1
2
3
2

4
2
0
3
4

Lattice constants of this sample

a = 9.2281(13) A
b = 10.7052(12)
c = 3.0185(5)

2.305M
2.305M
2.254
2.236
2.118

4
4
24
16

4
0
4
1
4

0
3
1
3
2

2.113
2.086
2.061
1.999
1.957

20
3
2
2
9

3
1
2
3
1

1
5
3
2
4

1.942
1.845
1.837
1.832
1.807

1
12
37
40
10

2
3
2
4
4

5
3
4
0
1

2
3
6

5
6

0
0
0

3
1
4
0
4

5
2

1
1

10
2
2
12
13

2
2
4
3
6

6
5
3
6
0

0
0
0

55.15
56.31
56.40
59.89
60.13

2
12

6
5
3
1
0

1 0
4 0
5 1
6 1
0 2

60.76
60.96
60.96
61.12
61.41

a/b = 0.8620
c/b = 0.2820
0
Volume
298.19 A3
Density
(calculated) 4.806 g/cm 3
Figure of merit
F30 = 48.9(0.015,41)
Additional patterns
PDF card 8-100 [Hadfields, Ltd., Sheffield,
England]

1.7581
1.7528
1.7463M
1.7463M
1.7349

PDF card 19-219 [Hughes et al., 1967]

Burdese [1952]

1 . 6640
1.6325
1.6301
1.5432
- 1.5376

Decker and Kasper [1957]

References
Burdese, A. (1952).

Ric. Sci. 22, 259.

1.5231
1.5186M
1.5186M
1.5150
1.5086M

Decker, B. F. and Kasper, J. S. (1957).

Acta Crystallogr. K), 332.
Hill, P. M., Peiser, H. S., and Rait, J. R.
(1956). Acta Crystallogr. 9, 981.
Hughes, H., Roos, P., and Goldring, D. C.
(1967). Mineral. Mag. 36, 280.

20

2
2

27
38

0
0
0

1
1

0
0
0

1
0

1
0

1
0

1
1

1
1

1
1

34.85
35.49
35.49
38.59
38.88
39.05
39.05
39.97
40.31
42.66
42.77
43.35
43.90
45.34
46.35
46.73
49.35
49.59
49.72
50.47
51.97
52.14
52.35
52.35
52.72

Calcium Iron Oxide, CaFe204 - (continued)

26(0)

hk*

d(A)
0 = 3
1.5086M
. 1.4569
1.4410
1.4352M
1.4352M

7 0
6 1
3 1
2 2
0 2

61.41
63.84
64.63
64.92
64.92
66.15
67.53
68.16
68.16
68.38

1
0
0
1
0

69.59
70,29
70.57
70.93
71.14

3 2 2
1 4 2
2 8 0
7 2 0
6 3 1

71.80
72,58
73.66
74.03
74.03

1
2
5
1
2

5
1L
1

1.4115
1.3860
1.3747M
1.3747M
1.3708

1
1L
2
1

4 6 0
2 2 2
1 3 2
3 6 1
6 0 1

1.3499
1.3381
1.3335
1.3276
1.3242

2
2
5
3
3

1
0
6
6
1

7
8
4
2
8

1.3137
1.3015
1.2850
1.2795M
1.2795M

14
1L
1L
2

1.2785
1.2642
1.2487
1.2289
1.2197

2
1L
1
1
1L

4 6
2 4
6 5
4 2
6 4

1
2
0
2
1

74.10
75.08
76.18
77.63
78.33

1.2127

1L

78.87

21

Calcium Sulfate Hydrate (Bassanite), CaS04 -0.5H20

Polymorphism
Two forms, Of and p have been described by
several authors, as noted by Clifton [1972],
He concluded that although slight differences
have been observed between the properties of
the two forms, it could not be conclusively
determined whether the differences were
sufficiently significant to consider the
supposed a and p forms as separate
entities.

Synonym
Plaster of Paris
GAS registry no.
10034-76-1
Sample
The sample was prepared at NBS by adding H2 S04
to an aqueous solution of Ca(N03 ) 2 to form
CaS04 2H20. The wet fresh material was mixed
with concentrated HN03 , heated at 80 C, and
held there for several days. Extremely fine
crystals developed and were bottled while
still moist. Just before measurements were
taken, the crystals were dried in air at
room temperature. The material was somewhat
unstable, slowly changing to CaS04 -2H20 under
conditions of high atmospheric humidity.

Figures of merit
F 30 = 17.6(0.017,99)
M20 = 17.6
Additional patterns
PDF card 24-1067 [Rowe and Bigelow, 1972,
The University of Michigan]
PDF card 24-1068. The data is attributed
to Weiser et al. [1936] but differs from the
journal reference quoted.

Consistent intensity data were difficult to

obtain. The data here were measured on
samples which had been side-drifted into
holders, with no further packing or smooth
ing. Other measurements on packed samples
showed different intensities; in par
ticular, the reflection at d=2.807 showed
values as low as 19, and at d=1.847, the
packed samples had values as low as 29.

Powell [1962]
References
Bushuev, N. N. (1980).
225 (No. 5), 1104.

Dokl. Akad. Nauk. SSSR

Color
Colorless

Clifton, J. R. (1972). J. Res. Natl. Bur.

Stand. Sect. A 76A, 41.

Structure
Pseudo-orthorhombic, I***, Z = 12. The
literature on CaS04 -0.5H2 0 is extensive and
confusing as noted by Gay [1965] and Clifton
[1972]. The cell below was modified from
one given by Gay [1965] who stated that the
true symmetry was monoclinic, with p = 90 .
This NBS cell was also consistent with one
found by use of the Visser program and
associated refinement procedures. Bushuev
[1980] reported a similar monoclinic cell
for CaS04 -0.67H20 with a=12.028, b=38.022,
c=6.927, Y=90.21 , space group 12. There
was no evidence to require the monoclinic
cell for NBS data.

Gay, P. (1965).

Mineral. Mag. 35, 354.

Powell, D. A. (1962).
868,

Aust. J. Chem. 15,

Weiser, H. B., Milligan, W. 0., and Ekholm,

W. C. (1936). J. Amer. Chem. Soc. 58, 1261.
o

CuKof 1 A = 1.540598 A; temp 25 1 C

Internal standard Si, a = 5 .43088 A
d(A)

I rel

26( )

hk

a = 4
Lattice constants of this sample
a = 12.031(4) A
b = 12.695(6)
c = 6.934(2)
a/b = 0.9477
c/b = 0.5462
Volume
0
1059.1 A3
Density
(calculated) 2.731 g/cm3

6.00
4.360M
4.360M
4.283
3.989

70
4

3.826
3.613
3.469M
3 . 469M
3.225

1
1

3.042
3 . 006M
3 . 006M
2.807M
2.807M

22

2
1

54
1
15
100
86

1
2
1
2
1

0
2
2
1
3

1
0
1
1
0

14.76
20.35
20.35
20.72
22.27

3
0
3
0
1

1
3
0
0
1

0
2
2

23.23
24.62
25.66
25.66
27.64

0
4
2
2
1

2
0
0
4
4

2
0
2
0
1

29.34
29.70
29.70
31.86
31.86

1
1

Calcium Sulfate Hydrate (Bassanite), CaS04 -0.5H20 - (continued)

d(A)

hk

20( )

or = +4
2 .717M
2 .717M
2 .617
2 .570
2 .343M
2 .343M
2 .273+
2 .273+
2 .228
2 .184M
2 .184M
2 .139+
2 .139+
2 .117
2 .028

8
11
1L
6
5
2
4
22
8
1L

4
2
1
3
3

2
2
3
1
4

0
2
2
2
1

32. 94
32. 94
34. 24
34. 88
38. 39

0
5
4
3
4

4
0
0

3
4

2
1
2
2
0

38. 39
39. 62
39. 62
40. 46
41. 31

2
5
4
0
0

4
2
2
6
3

2
1
2
0
3

41. 31
42. 21
42. 21
42. 68
44. 64

2 .004
1 .954
1 .909
1 .847M
1 .847M

2
1
8
56

6
5
3
4
1

0
1
2
4
4

0
2
3
2
3

45. 20
46. 44
47. 59
49. 31
49. 31

1 .736
1 .6947M
1 .6947M
1 .6674M
1 .6674M

6
14

6
6
3
7
5

0
4
4
0
0

2
0
3
1
3

52. 69
54. 07
54. 07
55. 03
55. 03

1 .6123M
1 .6123M
1 .5789
1 .5495
1 .5348+

5
2
3
5
6

2
2
1
6
5

3
4
4
1
1

57. 08
57. 08
58. 40
59. 62
60. 25

8
4
1
0
4

0
4,
3
0
3

60. 25
60. 84
61. 64
61. 64
62. 95

4
2

4
4

62. 95
63. 60

1L
1
1

1 .5348+
1 .5213
1 .5035M
1 .5035M
I .4753M

2
0
6
8
5

1 .4753M
1 .4618

1L

2
4

1
1L

Carbanazepine, p-C 15H 12N20

Synonyms
5H-Dibenz (b, f )azepine-5-carboxamide
Carbamazepen
Carbazepine
Tegretal

CuKa1 X = 1.540598 A; temp. 25 1 C

Internal standard Si, a = 5. 43088 A
26obs

CAS registry no.

298-46-4

dobs

J obs

'calc
peaks

Sample
The sample was the U.S. Pharmacopoeia Refer
ence Standard recrystallized from benzene.

8.71
6.94
6.77
6.49
6.24

5
37
89
16
24

6
11
93
15
27

1
2
-1
1
0

1
0
0
0
1

0
0
1
1
1

10.15
12.74
13.07
13.63
14.18

5.90
5.786
5.604
5.576
5.181

90
100
54
57
15

40
100
13*
59
20

2
-1
1
0
1

1
1
1
2
2

0
1
1
0
0

15.01
15.30
15.80
15.88
17.10

4.741
4.549
4.485
4.346
4.302

35
63
12
38
18

39
41
12
30
20

-2
2
0
2
-1

1
1
2
2
2

1
1
1
0

18.70
19.50
19.78
20.42
20.63

4.039
3.799
3.719
3.593
3.565M

5
29
36
53
61

7
26
40
30
53

-3
-3
2
1
0

0
1
2
3
1

1
1
1
0
2

21.99
23.40
23.91
24.76
24.96

3.565M
3.381
3.337
3.277
3.259

10
39
75
75

8
38
43
47

3
-2
0
2
-1

2
0
3
3
3

0
2
1
0
1

24.96
26.34
26.69
27.19
27.34

3.234
3.122
3,077
3.035
2.988

73
1L
8
6
2

58
2
6
8
5

-2
0
-1
-2
4

1
2
2
3
1

2
2
2
1
1

27.56
28.57
29.00
29.41
29.88

2.953
2.900
2.893M
2.893M
2.807

1L
5
6

.
6

4
3
-3
-2
2

2
3
1
2
2

0
0
2
2
2

30.24
30.81
30.88
30.88
31.86

2.790M
2.790M
2.736M
2.736M
2.651

16

15

1L

0
-4
-3
1
-5

4
2
3
4
0

0
1
1
0
1

32.06
32.06
32.70
32.70
33.79

2.641
2.621
2.566H
2.566M
2.503M

5
3
7

4
4
7

-3
-4
5
1
-2

2
0
0
4
3

2
2
1
1
2

33.92
34.18
34.94
34.94
35.85

5
-5
I

1
2
1

1
1

35.85
37.54
37.54

Color
Colorless
Optical data

Biaxial.
N = 1.600, Nftft S 1.675, N = 1.745.
P
2V is very large.

hk

Structure
Monoclinic, P2j/n (14), Z = 4. The struc
ture was determined by Himes et al. [1981].
Lattice constants of this sample
a
b
c
p

= 13.918(7) A
= 11.159(5)
= 7.543(4)
= 92.84(5)

a/b = 1.2472
c/b = 0.6760
Volume
0
1170.1 A3
Density
(calculated) 1.341 g/cm3
Polymorphism
This p-phase transforms above 180 C to give
an a-phase [De Camp, Brannon, and Maienthai,
1981].
Figure of merit

F3o = 47.0(0.013,49)
Intensities
The crystals were long needles which oriented
strongly, and the quantity was limited. Two
sets of intensities are presented here. The
first set was measured from only one experi
mental pattern and may be distorted by orien
tation. The 2nd set of I's was calculated
from the structure data of Himes et al. [1981].
At 20 = 24.37, a calculated peak of intensity
3 was not observed on the experimental pattern.

References
Be Camp, W. H., Brannon, W. L., and Maienthal,
M. M. (1981). Manuscript in preparation.
Himes, V., Mighell, A., and De Camp, W. H.
(1981). To be published in Acta Crystallogr.
B37.

2.503M
2.394M
2.394M

*This intensity is reported as integrated rath

er than peak height, which lacked resolution.

24

Cerium Niobium Oxide, CeNb04

Roth, R. S., Negas, T., Parker, H. S.,
Minor, D. B., and Jones, C. (1977).
Mat. Res. Bull. 12, 1173.

Synonym
Cerium niobate
CAS registry no.
12014-72-1

Santoro, A., Marezio, M., Roth, R. S.,

and Minor, D. (1980). J. Solid State
Chem. 35, 167.

Sample
The sample was prepared at NBS by heating
Ce02 and Nb20 5 at 1000 C for 21 hours, at
1500 C for 21 hours, and at 800 C for 4
days under a high vacuum.

CuKffj X = 1.540598 A; temp 25 1 C

Internal standard Ag, a = 4. 08651 A

Color
Medium bright green

d(A)
a =

Structure
Monoclinic, I2/a (15), Z = 4. The structure
of CeNb04 has been determined using neutron
powder diffraction by Santoro et al. [1980].
This phase had earlier been reported to be in
space group Ia(5) by Komkov [1959]. CeNb04
is isostructural with other rare earth niobates
and tantalates [Roth et al., 1977]. The
structure is a distorted scheelite type called
beta-fergusonite-(Ce) or brocenite [Kuo et al.,
1975],

5.705
4.973
4.697
3.233
3.133
3.059M
3.059M
2.852
2.761
2.574

26(0)

hk*
2

3
1
7
100
7

0
1
0
-1
1

2
1
1
2
3

0
0
1
1
0

15.52
17.82
18.88
27.57
28.47

97

31
18
15

0
2
0

3
2
4
0
0

1
1
0
0
2

29.17
29.17
31.34
32.40
34.83

Lattice constants of this sample

a
b
c
p

= 5.5403(7) A
=11.4087(14)
= 5.1631(7)
= 94.602(13)

a/b = 0.4856
c/b = 0.4526
0
Volume
325.30 A3
Density
(calculated) 6.065 g/cm3
Polymorphism
When heated to about 580 C, CeNb04 undergoes
a readily reversible phase change to a tetrag
onal structure of the fergusonite type, very
similar to scheelite, CaW04 [Gingerich and
Bair, 1963].
Figure of merit
F 30 = 75.8(0.010,40)
Additional patterns
PDF card 23-1047 [McCarthy, G., Pennsylvania
State University, University Park, PA]
PDF card 29-402 [Kuo et al., 1973]

1L
5
4
5

-2
-1
0
-1
2

1
1
2
4
1

1
2
2
1
1

36.47
38.15
38.34
38.99
38.99

2.242
2.0861
2.0343
2.0019
1.9841

6
8
14
1L
27

1
0
-1
2
2

4
5
3
3
4

1
1
2
1
0

40.19
43.34
44.50
45.26
45.69

1.9622
1.9455
1.9111
1.9017
1.8557

17
3
20
3
1

-2
1
0
0
-2

0
3
4
6
2

2
2
2
0
2

46.23
46.65
47.54
47.79
49.05

1.8112
1 . 7264
1.7114
1.6982
1 . 6840

12
1
16
17
11

2
2
-1
-3
1

0
2
6
2
6

2
2
1
1
1

50.34
53.00
53.50
53.95
54.44

1 . 6568M
1.6568M
1.6392
1.6214
1.6169

3
-1
2
3
-2

3
5
5
2
4

0
2
1
1
2

55.41
55.41
56.06
56.73
56.90

-1
0
1
-3
1

2
3
7
1
2

3
3
0
2
3

57.22
59.04
59.04
59.90
59.90

1.6087
1.5633M
1.5633M
1.5429M
1.5429M

References
Gingerich, K. A. and Bair, H. E. (1963).
Advan. X-Ray Anal. 7, 22.
Komkov, A. I. (1959).
4, 796.

2.462
2.357
2.346
2.308M
2.308M

Sov. Phys. Crystallogr.

Kuo, C., Wang, I., Wang, H., Wang, C., and

Hou, H. (1973). Ti Chiu Hua Hsueh (Geochimica
Peking) 2, 86.

25

2
15
16
11
5
9

Cerium Niobium Oxide, CeNb04 - (continued)

d(A)

I rel

hk

26( )

a = 2
1 .5291M
1 .5291M
1 .5090
1 .4995
1 .4452

9
1L
1

0 6 2
2 4 2
-3 4 1
-2 1 3
-1 4 3

60 .50
60 .50
61 .39
61 .82
64 .42

1 .4416
1 .4321
1 .4259
1 .3806
1 .3708

1L
6
3
3
1

-3 3 2
3 1 2
0 8 0
4 0 0
0 5 3

64 .60
65 .08
65 .40
67 .83
68 .38

1 . 3494M
1 .3494M
1 . 3406M
1 .3406M
1 .3228

-1
3
-1
2
1

69 .62
69 .62
70 .14
70 .14
71 .23

1 .2992M
1 .2992M
1 .2870
1 .2669
1 .2635

2
1

7 2
3 2
8 1
7 1
7 2

-3 6
4 1
0 0
2 8
3 6

3
4
5
5

26

1
1
4
0
1

72 .73
72 .73
73 .53
74 .89
75 .13

Cerium Tantalum Oxide, CeTa04

Synonym
Cerium tantalate

CuKa 1 X = 1.540598 A; temp 25 1 C

Internal standard Ag, a = 4 .08651 A

CAS registry no.

12343-76-9

d(A)

Sample
A 2:1 mixture of Ce02 and Ta205 was heated at
1000 C for 21% hours, next at 1400 C for 2
hours, then at 1500 C for 17 hours. It was
cooled and sealed in an evacuated glass tube.
It was heated again at 800 C for 6 days at
a total pressure equal to or less than 2x10~6
Torr.

a =
7.500
4.478
4.447
3.813
3.742

Color
Light olive
Structure
Monoclinic, P2 x /a (14), Z = 4, with LaTa04 type structure. The structure was refined
by Santoro et al. [1980]. Neutron powder
diffraction techniques were used.
Lattice constants of this sample
7.7654(5)1
a =
5.5294(4)
b =
7.6230(6)
c =
p = 100.865(7)
a/b = 1.4044
c/b = 1.3786
Volume 0
321.45A3
Density
(calculated) 7.957 g/cm3
Polymorphism
A monoclinic to orthorhombic phase transition
was observed at 820 C in vacuum [Cava et al.,
1978].
Figure of merit
F30 = 82.4(0.007,53)
Additional pattern
PDF card 23-148 [Bodiot, 1968]
References
Bodiot, D. (1968).

,i

Rev. Chim. Miner. 5, 569.

Cava, R. J., Negas, T., Roth, R. S., Parker,

H. S., Minor, D. B., and Olson, C. D. (1978).
In The Rare Earths in Modern Science and
Technology (Plenum Publishing Corp. New York,
NY), p. 181.
Santoro, A., Marezio, M., Roth, R. S., and
Minor, D. (1980). J. Solid State Chem. 35,
167.

27

1L
5
8
13
20

26( )

hk
4
0
1
0
2
0

0
1
1
0
0

1
0
1
0
2

11.79
19.81
19.95
23.31
23.76

3.690
3.138
3.100
3.070
2.966

10
81
100
42
10

-2
2
0
-2
-2

0
1
1
1
0

1
0
2
1
2

24.10
28.42
28.78
29.06
30.11

2.764
2.747
2.613
2.4513
2.3219

35
15
19
12
3

0
2
-2
2
-3

2
1
1
0
1

0
1
2
2
1

32.36
32.57
34.29
36.63
38.75

2.2957
2.2746
2.2388M
2.2388M
2.2240

8
1
4

-2
0
2
2
0

2
2

3
3
2
0
2

39.21
39.59
40.25
40.25 <
40.53

2.2130
2.2026
2.0815
2.0223
1.9368

3
1L
7
12
21

-2
-1
2
-2
-4

2
2
2
2
0

1
2
1
2
1

40.74
40.94
43.44
44.78
46.87

1.9279
1.9073
1.8715M
1.8715M
1.8525

5
2
7

2
4
0
3
0

0
0
0
2
2

3
0
4
0
3

47.10
47.64
48.61
48.61
49.14

1.8459
1.8337
1.8213M
1.8213M
1.8025

2
20
8

-4
2
-2
2
4

0
2
0
1
1

2
2
4
3
0

49.33
49.68
50.04
50.04
50.60

1.7912
1.7724
1.7679M
1.7679M
1.7303

2
18
17

1
0
4
-2
-2

3
1
0
2
1

0
4
1
3
4

50.94
51.52
51.66
51.66
52.87

1.6852
1.6755
1.6593
1.6541
1.6495

11
3
11
16
11

4
-4
2
0
-2

1
0
3
3
3

1
3
0
2
1

54.40
54.74
55.32
55.51
55.68

1L

Cerium Tantalum Oxide, CeTa04 - (continued)

d(A)

I" 1

26( )

hkJfc

a = 4
1.6443
1.6028
1.5926
1.5861
1.5824M

5
14
13
9
8

-1
-4
2
-4
4

3
1
3
2
0

2
3
1
1
2

55.87
57.45
57.85
58.11
58.26

1.5824M
1.5655
1.5500
1.5346
1.5211M

9
3

2
-2
0
-4
4

2
3
2
2
1

3
2
4
2
2

58.26
58.95
59.60
60.26
60.85

-2
2
-2
3
4

2
1
0
3
2

4
4
5
0
1

60.85
61.45
62.17
62.17
62.25

1
3
3
2
2

5
2
1
3
3

64.61
64.61
65.03
65.03
66.41

1.5211M
1.5077
1.4919M
1.4919M
1 . 4902

2
7
6
2
3

1.4414M
1.4414M
1.4331M
1.4331M
1.4066

1L

-2
-3
3
-4
3

1.3936
1.3822
1.3734
1.3631
1.3601

1
3
1
2
2

4
0
4
2
1

0
4
2
2
4

3
0
2
4
0

67.11
67.74
68.23
68.82
68.99

1.3511
1.3250
1.3134M
1.3134M
1.3027

4
11
5

4
4
-2
0
-4

1
3
2
3
0

3
0
5
4
5

69.52
71.09
71.82
71.82
72.50

1.2996
1.2967
1.2947
1.2764M
1.2764M

2
2
2
4

2
0
-2
2
4

4
4
4
1
3

0
2
1
5
1

72.70
72.89
73.02
74.24
74.24

1.2677M
1.2677M
1.2599
1.2530
1.2477

4
5
1
4

-4
-5
-6
-2
0

1
2
1
4
0

5
3
1
2
6

74.84
74.84
75.38
75.87
76.25

1.2447
1.2394
1.2301
1.2267
1.2160M

4
4
1L
3
1

4
-4
-6
-2
-3

2
3
0
1.
4

3
3
3
6
1

76.47
76.85
77.54
77.80
78.61

1.2160M
1.2039
1.2009M
1.2009M
1 . 1942

2
3

6
2
-6
4
2

0
4
1
3
3

1
2
3
2
4

78.61
79.56
79.80
79.80
80.34

28

Cesium Magnesium Titanium Oxide,

.2761

Synonym
Cesium magnesium titanate

A. = 1.540598 A; temp. 25 1 C
Internal standard Ag, a = 4 .08651 A

CuKa

Sample
The sample was prepared at NBS by mixing
stoichiometric proportions of cesium,
magnesium, and titanium oxides. The mixture
was heated at 750 C for 18 hours, then re
heated with periodic grindings at 1200 C for
5 hours. Finally, it was heated at 1200 C
in a sealed platinum tube for 5 days.

' d(A)

I rel

hkJt

26( )

a = 1

Color
Pale yellow
Structure
Tetragonal, I4/m (87), Z = 1. Roth [1981]
determined by analogy that this compound is
of the hollandite type structure. The
structure of the related hollandite type
phases was determined by Sinclair et al.
[1980].
Lattice constants of this sample
a = 10.2818(4) A
c = 2.9717(3)
c/a = 0.2890
Volume
0
314.15 A3
Density
(calculated) 4.305 g/cm3
Figure of merit
F 30 = 84.4(0.010,35)
M20 = 128.4
References
Roth, R. S. (1981) private communication.
Sinclair, W, , McLaughlin, G. M., and
Ringwood, A. E. (1980). Acta Crystallogr.
B36, 2913.

29

7.27
5.148
3.636
3.254
2.856

2
27
100
3

1
2
2
3
1

1
0
2
1
0

0
0
0
0
1

12.17
17.21
24.46
27.39
31.30

2.570
2.497
2.299
2.246
2.0567

2
18
25
19
5

4
2
4
3
3

0
1
2
0
2

0
1
0
1
1

34.88
35.94
39.15
40.12
43.99

2.0163
1.9107
1.8179
1.7635
1.7135

11
15
6
7
22

5
4
4
5
6

1
1
4
3
0

0
1
0
0
0

44.92
47.55
50.14
51.80
53.43

1.6912
1.6261
1.6061
1.4857
1.4692

2
2
21
2
4

4
6
5
0
6

3
2
2
0
1

1
0
1
2
1

54.19
56.55
57.32
62.46
63.24

1.4559
1.4540
1.4270
1.4124
1 . 3624

2
3
2
16
2

1
5
2
5
6

1
5
0
4
3

2
0
2
1
1

63.89
63.98
65.34
66.10
68.86

1.3502
1.3172
1.2865
1.2754
1.2667

12
1
2
2
1

7
7
4
7
3

3
0
0
2
3

0
1
2
1
2

69.57
71.58
73.56
74.31
74.91

1.2467
1.2115
1.2038
1.1963
1.1950

2
6
1L
1L
3

8
6
6
5
7

2
6
5
1
5

0
0
1
2
0

76.32
78.96
79.57
80.17
80.27

1.1719
1.1495
1.1353
1.1226
1.1155

3
2
7
3
1

7
8
9
6
8

4
4
1
0
3

1
0
0
2
1

82.19
84.15
85.45
86.66
87.35

1.0969
1.0837
1.0664
1.0440
1.0392

1
1
1
4
1

6
9
9
7
5

2
3
0
6
5

2
0
1
1
2

89.22
90.60
92.50
95.09
95.68

1.0289
1.0283

2
2

6
8

4
6

2
0

96.95
97.02

Chromium Boride,
GAS registry no.
12007-38-4

d(A)

Sample
The sample was obtained from Cerac, Inc.,
Menomonee Falls, WI. It contained about
15% CrB as a second phase which did not
interfere with the measurements.
Color
Dark gray
Structure
Tetragonal, I4/mcm (140), Z = 4. The
structure was determined by Bertaut and
Blum [1953].
Lattice constants of this sample
a = 5.4735(5) A
c = 10.1156(15)
c/a = 1.8481
Volume
0
303.06 A3
Density
(calculated) 6.409 g/cm 3
Figure of merit
F2 s = 53.5(0.012,38)
Additional pattern
Kuz'ma et al. [1969]
References
Bertaut, F. and Blum, P. (1953).
Sci. 236, 1055.

C. R. Acad.

Kuz'ma, Yu. B., Telegus, V. S., and Kovalyk,

D. A. (1969). Porosh Met. 5, 79.
o

\ = 1.540598 A; temp. 25 1 C
Internal standard Si, a = 5 43088 A

CuKa

d(A)

irel

hk

20( )

a = 4
21

3 .073
2 .739
2 .528
2 .409
2 .380

9
14
29
55

1
2
0
2
2

1
0
0
0
1

2
0
4
2
1

29 .03
32 .67
35 .48
37 .30
37 .76

2 .117
1 .9808
1 .9341
1 .8572
1 .8085

23
100
15
39
1

1
2
2
2
2

1
1
2
0
2

4
3
0
4
2

42 .68
45 .77
46 .94
49 .01
50 .42

hk
a =

30

26( )

1 .7306
1 .6858
1 .6378
1 .5597
1 .4352

30
10
3
2
1

3
0
3
2
2

1
0
1
1
0

0
6
2
5
6

52 .86
54 .38
56 .11
59 .19
64 .92

1 .3162
1 .2901
1 .2714
1 .2643
1 .2498

11
4
3
2
3

4
3
2
0
3

1
3
2
0
3

1
0
6
8
2

71 .64
73 .32
74 .58
75 .07
76 .10

1 .2445
1 .2354
1 .2237
1 .2078
1 .1491

13
12
3
10
11

2
4
4
3
3

1
1
2
1
3

7
3
0
6
4

76 .48
77 .15
78 .02
79 ,25
84 .19

Cobalt Fluoride, CoF2

Synonym
Cobalt difluoride

CuKa.* A = 1.540598 A; temp . 2511 C

o
Internal standard Ag, a = 4 .08651 A

GAS registry no.

10026-17-2

d(A)

Sample
The sample obtained from the Apache Chemical
Co., Seward, IL was heated at 180 C.

Structure
Tetragonal, P42/mnm (136), Z = 2, isostructural with Ti0 2 , rutile. The structure
was determined by Stout and Reed [1954] and
refined by Baur [1958].
Lattice constants of this sample
a = 4.7106(3) A
c = 3.1691(5)
c/a = 0.6728
0
Volume
70.322 A3

26( )

Figure of merit
F 19 = 84.6(0.010,22)
Additional pattern
PDF card 3-409 [The Dow Chemical Co.]
PDF card 24-329 [Swanson et al., 1972]
Acta Crystallogr. 11,
J. Am.

Swanson, H. E., McMurdie, H. F., Morris,

M. C., Evans, E. H. , and Paretzkin, B.
(1972). Natl. Bur. Stand. U.S. Monogr. 25,
Sec. 10, 85.

31

1
1
2
1
2

1
0
0
1
1

0
1
0
1
0

26.73
34.05
38.18
39.19
42.89

56
17
9
6
14

2
2
0
3
1

1
2
0
1
1

1
0
2
0
2

52.08
55.10
58.18
62.29
65.15

16
1
2
1
4

3
3
2
2
3

0
1
0
2

1
1
2
2
1

66.39
69.68
71.73
74.94
79.22

4
2
3
3

0
2
3
1

0
2
0
2

81.71
84.28
87.88
90.44

3.332
2.631
2.355
2.297
2.1069

100
50
7
24
6

1.7547
1.6654
1.5844
1.4894
1.4307
1.4070
1.3484
1.3148
1.2662
1.2082
1.1776
1.1481
1.1101
1.0852

Density
(calculated) 4.578 g/cm3

Stout, J. W. and Reed, A. (1954).

Chem. Soc. 76, 5279.

hk

o = 3

Color
Strong pink

References
Baur, W. H. (1958).
488.

jrel

IL
7
3
3

Cobalt Phosphide, Co2 P

GAS registry no.
12134-02-0

CuKa- X = 1.540598 A; temp. 25 1 C

0
Internal standard \tf, a = 3.16524 A

Sample
The sample was obtained from ICN-K&K Labora
tories, Plainview, NY. It contained a few
percent of Co 3 (P04 ) 2 which did not interfere
with measurements.

Structure
Orthorhombic, Pnam (62), Z = 4, isostructural
with CogSi. The structure was determined by
Nowotny [1947]. It was refined by Rundqvist
[1960] who stated that there is an extended
homogeneity range at elevated temperatures;
the widening of the range is apparently
connected with random vacancies in the metal
atom sites.
Lattice constants of this sample
a = 5.6465(8) A
b = 6.6099(10)
c - 3.5130(7)
a/b = 0.8542
c/b = 0.5315
0
Volume
131.11 A3
Density
(calculated) 7.540 g/cm 3
Figure of merit
F 30 = 48.8(0.013,46)
Additional pattern
PDF card 6-0595 [Nowotny, 1947]

Rundqvist, S. (1960).
14, 1961.

26( )

a = +2

Color
Black

References
Nowotny, H. (1947).
254, 31.

hidI

d (A)

2. Anorg. Allg. Chem.

Acta Chem. Scand.

3.309
2.854
2.826
2.719
2.214

100

2
2
0
1
2

2.201
2.147
2.088
2.053
1.8675

69
11
71
33
26

2
2
2
1
0

0
2
1
3
3

1.8326
1.8102
1.7715
1.7562
1.7370

8
23
19
29
11

2
3
1
0
2

2
1
3
0
3

1.6524
1.6354
1.6094
1.5856
1.5573

8
17
4
2
6

0
3
3
1
2

4
2
1
4
3

0
0
1
0

55.57
56.20
57.19
58.13
59.29

1.4309
1.3802
1.3596
1.3342
1.2981

2
1
1
7
4

3
4
2
1
4

3
1
2
3
2

0
0
2
2
0

65.14
67.85
69.02
70.53
72.80

1.2867
1.2844
1.2605
1.2371
1.2350

2
3
6
5
7

1
4
3
0
2

5
1
1
5
3

0
1
2
1
2

73.55
73.70
75.34
77.02
77.18

1.2181
1.1969M
1.1969M
1.1708
1.1336

1L
9

4
2
3
3
2

2
5
2
4
5

1
0
2
1
1

78.45
80.12
80.12
82.28
85.61

1.0833
1.0816+
1.0816+
1.0611
1.0339M

4
6

1
3
2
5
0

2
5
0
1
3

3
0
31
3

90.64
90.83
90.83
93.09
96.33

96.33

1.0339M

32

0
0
0

0
1
2
1
1

3
5
4

6
1

7
6

26.92
31.32
31.64
32.92
40.73

1
1

40.97
42.06
43.30
44.08
48.72

1
0

1
1

49.71
50.37
51.55
52.03
52.65

1
2
0

'

Copper Chloride Hydrate (Eriochalcite), CuCl 2 -2H2 0

Synonym
Cupric chloride dihydrate

= 1.540598 A; temp . 25 1
0

Internal standard W, ii = 3 .16524 A

CAS registry no.

13933-17-0

d(A)

Sample
The sample was obtained from the Fisher
Scientific Co., Fair Lawn, NJ. The sample
was somewhat hygroscopic.

hk

28( )

a = 4

Color
Brilliant bluish green
Structure
Orthorhombic, Pbmn (53), Z = 2. The struc
ture was determined by Harker [1936] and
refined by Engberg [1970].
Lattice constants of this sample
a = 7.4164(6) A
b = 8.0926(6)
c = 3.7494(4)
a/b = 0.9164
c/b = 0.4633
0
Volume
225.03 A3
Density
(calculated) 2.516 g/cm3
Figure of merit
F 30 = 87.6(0.009,37)
Additional pattern
PDF card 13-145 [Inst. of Physics, Univ.
College, Cardiff, Wales]
References
Engberg, A. (1970).
3510.

irel

Acta Chem. Scand., 24,

Harker, D. (1936). Z. Kristallogr. Kristallgeometrie Kristallphys. Kristallchem. A93, 136.

33

5.467
4.050
3.750
3.708
3.346

100
56
11
6
21

0
0
2
1

3.093
2.734
2.638
2.578
2.534

40
14
82
18
17

1
2
2
1
1

2.365
2.2088
2.1004
2.0639
2.0240

9
29
13
5
22

3
2
1
3
0

2.0007
1.8744
1 . 8543
1.8389
1.8220

17
5
14
5
6

3
0
4
3
3

1
0
0
2
3

1 . 7808
1.7740
1.7312
1.7005
1.6860

4
9
5
2
9

0
1
1
0
4

4
1
4
2
2

2
1
2
0

51.26
51.47
52.84
53.87
54.37

1.6730
1.6624
1.6579
1.6389M
1.6389M

5
3
6
6

2
4
1
3
2

0
0
2
3
1

2
1
2
1
2

54.83
55.21
55.37
56.07
56.07

1.6048
1.5817
1.5070
1.4939
1.4686

23
5
3
3
3

2
1
1
3
3

4
5
3
0
1

1
0
2
2
2

57.37
58.29
61.48
62.08
63.27

1.4587
1.4569
1.4452
1.4015
1.3671

8
4
5
6
7

5
1
3
3
4

1
5
4
2
4

0
1
1
2
0

63.75
63.84
64.42
66.68
68.59

1 . 3600
1.3538

3
2

5
3

1
5

1
0

69.00
69.36

1
2
0
0
0

0
0
1
0
1

16.20
21.93
23.71
23.98
26.62

1
2
0
3

1
0
1
1
0

28.84
32.73
33.96
34.77
35.39

38.02
40.82
43.03
43.83
44.74

3
0
4

1
1
1
0

1
2
0

1
0

45.29
48.53
49.09
49.53
50.02

lodoform, CHI 3
Synonym
Triiodomethane

Sample
The sample was obtained from Merck and Co.,
Inc., Rahway, KJ.
Color
Brilliant yellow
Structure
Hexagonal, P6 3 (173), 2=2. The structure
was determined by Huggins and Noble [1931].
Lattice constants of this sample
a = 6.8195(5) A
c = 7.565(1)
c/a * 1.1093
0
Volume
304.68 A3
Density
(calculated) 4.292 g/cms
Figure of merit
F30 = 62.4(0.011,44)
Additional pattern
PDF card 2-329 [Crystallographic Laboratory,
Cambridge, England]
Reference
Huggins, M. L. and Noble, B. A. (1931).
Am. Mineral. 16, 519.
0

X = 1.540598 A; teiup. 25 1 C
o
Internal standard W > ' i = 3.16524 A

CuKa

I rel

2e( )

hkJI

a = 3
11
39
18
100
7

1
0
1
1
2

0
0
1
1
0

1
2
0
1
1

19.07
23.51
26.12
28.71
32.52

2.531
2.320
2.230
2.0270
1.9674

16
1
6
22
11

1
1
2
1
3

1
0

2
3
0
3
0

35.44
38.78
40.41
44.67
46.10

.9222
.8913
.7456
.7049
.6629

7
3
12
1
9

2
0
3
2
2

2
4
2
0
1

47.25
48.07
52.37
53.72
55.19

4.650
3.781
3.409
3.107
2.751

.0

o = 3

CAS registry no.

75-47-8

d(A)

hk

d(A)

1
1

1
0
0
2
2

34

1 .6535
1 .6381
1 .6010
1 .5540
1 .5033

3
2
3
2
3

1
3
3
2
3

1
1
1
2
1

4
0
1
2
2

55 .53
56 .10
57 .52
59 .43
61 .65

1 .4492
1 .4431
1 .4122
1 .3831
1 .3734

2
2
2
3
2

4
2
2
1
3

0
1
2
1
1

1
4
3
5
3

64.22
64 .52
66 .11
67 .69
68 .23

1 .3636
1 .3550
1 .3467
1 .3338
1 .2888

3
1
1L
2
1L

3
3
2
3
4

0
2
0
2
1

4
0
5
1
0

68 .79
69 .29
69 .78
70 .55
73 .41

1 .2755
1 .2744
1 .2707
1 .2606
1 .2382

1
1
3
1L
1L

3
4
4
0
3

2
0
1
0
1

2
3
1
6
4

74 .30
74 .38
74 .63
75 .33
76 .94

1 .2201

78 .30

Iron Boride, FeB

CAS registry no.
12006-84-7

CuKofj X = 1.540598 A temp . 25 1 c

o
Internal standard W, a = 3 .16524 A

Sample
The sample was obtained from Cooper Metal
lurgical Associates, Cleveland, OH.

d(A)

Structure
Orthorhombic, Pbnm (62), Z = 4. The
structure was determined by Bjurstrom
and Arnfelt [1929].
Lattice constants of this sample
a = 4.0587(3)A
b = 5.5032(5)
c = 2.9474(3)
a/b = 0.7375
c/b = 0.5336
Volume
0
65.833 A3
Density
(calculated) 6.725 g/cm3
Figure of merit
F2 9 = 79.0(0.009,39)
Intensities
Owing to the difficulty of getting repro
ducible intensities, a comparison between
experimental intensities and those calcu
lated on the basis of the structure given
in Pearson [1967] was made. In the
calculated pattern, the four strongest lines
were: 2.188(100), 1.904(67), 2.384(65),
2.011(65).
Additional pattern
PDF card 3-957 [Bjurstrom]
Ark. Kemi Mineral.

Bjurstrom, T. and Arnfelt, H. (1929).

Phys. Chem. B4, 869.

hk

26( )

a = 4

Color
Unground, shiny metallic gray in chunks
Ground, olive gray

References
Bjurstrom, T. (1933).
Geol. 11A.

irel

Z.

Pearson, W. B. (1967). A Handbook of

Lattice Spacings and Structures of Metals
and Alloys, Vol. 2, (Pergamon Press Ltd.,
Oxford, England) p. 409.

35

3.269
2.752
2.384
2.2768
2.1888

16
32
50
33

1 0

72

1
0
1
1
1

2
0
2
1

0
1
0
1

2.0116
1.9043
1.8018
1.6716
1.6335

100
67
28
33
5

0
2
1
1
2

2
1
2
3
2

1
0
0
0

1.5995
1.4736
1.4542
1.3435
1.3030

27
22
3
3
10

2
0
1
1
1

1
0
3
1
4

2
1
2
0

57.58
63.03
63.97
69.97
72.48

1.2993
1.2466
1.2374
1.2354
1.2297

6
17
16
25
8

0
0
2
3

2
4
2
3
0

2
1
2
1
1

72.72
76.33
77,00
77.15
77.57

1.2141
1.1999
1.1917
1.1653
1.1224

5
12
4
22
9

3
3
1
2
3

2
1
4
1
2

0
1
1
2
1

78.76
79.88
80.54
82.76
86.68

1.1054
1.0889
1.0621M
1.0621M
1.0147

9
7
4

1
3
1
2
4

3
3
5
4
0

2
0
0
1
0

88.35
90.05
92.98
92.98
98.78

27.26
32.51
37.71
39.55
41.21
45.03
47.72
50.62
54.88
56.27

Iron Fluoride, FeF3

Synonym
Ferric fluoride

o
X = 1.540598 A; temp. 25 1 C
-0
Internal standard Ag, a = 4. 08651 A

CuKof

CAS registry no.

7783-50-8

d(A)

Sample
The sample was obtained from Alfa Products,
Thiokol/Ventron Division, Danvers, MA. It
was dried at 140 for 2-3 hours.

20( )

hk

a = 1
3.731
2.678
2.602
2.244
2.133

Color
Pale yellow green
Structure
Hexagonal, R3c (167), Z = 6. The structure
was determined by Hepworth et al. [1957].
Lattice constants of this sample
a = 5.200(1) A
c = 13.323(2)
c/a = 2.5621
0
Volume
311.94 A3
Density
(calculated) 3.604 g/cm3
Figure of merit
F21 = 65.3(0.013,25)
Additional pattern
PDF card 2-0327 [Ebert, 1931]
References
Ebert, F. (1931).

I rel

Z. Anorg. Chem. 186, 398.

Hepworth, M. A., Jack, K. H., Peacock, R. D.,

and Westland, G. J. (1957). Acta Crystallogr.
10, 63.

36

100

15
7
14
2

0
1
1
1
2

1
0
1
1
0

2
4
0
3
2

23.83
33.43
34.44
40.15
42.34

2
1
1
2
1

4
6
1
2
8

48.75
54.27
54,27
55.71
59.10

1.8664
1.6889M
1.6889M
1.6486
1.5619

21
21
10
3

0
1
2
1
0

1.5157
1.5011
1.4346
1.3386
1.2996

6
5
1
5
2

2
3
1
2
2

1
0
2
0
2

4
0
5
8
0

61.09
61.75
64.95
70.26
72.70

1.2861
1.2777
1.2690
1.2434M
1 . 2434M

1
3
1
2

1
1
2
3
1

1 9
0 10
1 7
0 6
3 1

73.59
74.15
74.75
76.56
76.56

1.2276
1.1902
1.1692

5
2
1

3
1
1

1
2
3

77.73
80.66
82.42

2
8
4

Iron Oxide (Hematite), orFe2 03

Synonyms
Iron sesquioxide
Diiron trioxide
Ferric oxide

CuKa 1 \ = 1.540598 A; temp. 25 1 C

Internal standard Ag, a = 4.08651 A

CAS registry no.

1309-37-1

hk

d(A)
0 =

Sample
The sample was obtained from Pfizer, Inc.,
New York, NY. It was heated at 800 C for
3 days.
Color
Dark reddish brown
Structure
Hexagonal, R3c (167), Z = 6. The structure
was determined by Pauling and Hendricks
(1925) and refined by Blake et al. (1966). It
is isostructural with Of-A^Oa, corundum.
Lattice constants of this sample
a = 5.0356(1) A
c = 13.7489(7)
c/a = 2.7303
Volume
0
301.93 A3
Density
(calculated) 5.270 g/cm3
Figure of merit
F 30 = 67.6(0.011,40)
Polymorphism
Three other forms of this compound have
been reported. Delta-Fe 2 0 3 crystallizes
in a hexagonal form. Maghemite, "Y'^^Os
has been reported in both a cubic and a
tetragonal form.
Reference intensity
I/I corundum
,
= 2.60(1)
Additional patterns
PDF card 13-534 [Aravindaksman and All,
Council of Sci. and Indust. Res., Central
Fuel Res. Inst., Binat, India]
PDF card 24-72 [Smith et al., Perm. State
U., University Park, PA]
References
Blake, R. L., Hessevick, R. E., Zoltai, T.,
and Finger, L. W. [1966]. Am. Mineral. 51,
123.
Pauling, L. and Hendricks, S. B. [1925].
J. Amer. Chem. Soc. 47, 781.

37

26 ( )

3 .684
2 .700
2 .519
2 .292
2 .207

30
100
71
3
22

0
1
1
0
1

1
0
1
0
1

2
4
0
6
3

24 .14
33 .15
35 .61
39 .28
40 .86

2 .0779
1 .8406
1 .6941
1 .6367
1 .6033

3
39
47
1
5

2
0
1
2
1

0
2
1
1
2

2
4
6
1
2

43 .52
49 .48
54 .09
56 .15
57 .43

1 .5992
1 .4859
1 .4538
1 .3497
1 .3115

10
30
30
3
10

0
2
3
2
1

1 8
1 4
0 0
0 8
0 10

57 .59
62 .45
63 .99
69 .60
71 .94

1 .3064
1 .2592
1 .2276
1 .2141
1 .1896

6
8
4
2
5

1
2
3
2
1

1
2
0
2
2

9
0
6
3
8

72 .26
75 .43
77 .73
78 .76
80 .71

1 .1632
1 .1411
1 .1035
1 .0768
1 .0557

5
7
7
2
7

0
1
2
0
2

2 10
3 4
2 6
4 2
1 10

82 .94
84 .92
88 .54
91 .35
93 .71

1 .0428
1 .0393
.9892
.9715
.9606

1L
3
4
1L
5

1
4
3
2
3

1 12
0 4
1 8
2 9
2 4

95 .24
95 .66
102 .29
104 .92
106 .63

.9581
.9516
.9318
.9206
.9081

4
5
2
2
5

0
4
4
0
1

1 14
1 0
1 3
4 8
3 10

107 .03
108 .09
111 .51
113 .60
116 .04

.8998
.8954
.8789
.8648
.8543

1
3
6
1
3

3
2
4
2
4

0 12
0 14
1 6
3 8
0 10

117 .75
118 .69
122 .44
125 .94
128 .77

.8436
.8392
.8089
.8014

5
3
4
4

1
3
3
2

2 14
3 0
2 10
4 4

131 .87
133 .24
144 .44
147 .96

Iron Yttrium Oxide, Fe 5 Y3 0 12

Synonyms
YIG, Yttrium iron garnet,
Diiron triyttrimn trisferrate,

CuKa 1 \ = 1.540598 A; temp. 2511

Internal standard Ag, a = 4.08651 A

GAS registry no.
12063-56-8

d(A)

Sample
The sample was obtained from Trans-Tech, Inc.,
Gaithersburg, MD.

I" 1

hk

26( )

a = 2

Color
Medium olive
Structure
Cubic, Ia3d (230), Z = 8, garnet structure. The
structure was refined by Euler and Bruce [1965]
following earlier determinations [Geller and
Gilleo, 1957; Batt and Post, 1962].

6
1
3
32
100

2
2
3
4
4

1
2
2
0
2

1
0
1
0
0

17 .53
20 .27
26 .94
28 .84
32 .32

2 .639
2 .527
2 .428
2 .259
2 .188

2
44
4
10
2

3
4
4
5
4

3
2
3
2
4

2
2
1
1
0

33 .94
35 .50
37 .00
39 .87
41 .23

2 .0082
1 .8261
1 .7870
1 .7171
1 .6840

9
1L
14
36
3

6
6
4
6
7

1
3
4
4
2

1
1
4
0
1

45 .11
49 .90
51 .07
53 .31
54 .44

1 .6544
1 .5718
1 .5469
1 .5236
1 .5013

42
1
14
1L
1L

6
7
8
7
8

4
3
0
4
2

2
2
0
1
0

55 .50
58 .69
59 .73
60 .74
61 .74

1 .4791
1 .4589
1 .4382
1 .3840
1 .3506

1L
1L
1L
8
19

6
8
8
8
8

5
2
3
4
4

3
2
1
0
2

62 .77
63 .74
64 .77
67 .64
69 .55

1 .3345
1 .3194
1 .3047
1 .2764
1 .2503

1
6
1L
2
1

9
6
8
9
9

2
6
5
3
4

1
4
1
2
1

70 .51
71 .44
72 .37
74 .24
76 .06

1 .2255
1 .2138
1 .1801
1 .1492
1 .1395

11
2
2
22
1L

10
10
10
10
10

1
2

3
4
3

1
0
1
0
3

77 .89
78 .78
81 .50
84 .18
85 .06

1 .1300
1 .1026
1 .0940
1 .0691
1 .0612

12
2
10
1L
1L

8
11
10

4
2
8
3
6

2
1
0
2
0

85 .95
88 .63
89 .52
92 .19
93 .08

1 .0387
1 .0314
1 .0242
1 .0173
1 .0107

1L
5
1L

5
2

9
12
11
12
11

6
0
4
2
5

5
0
3
0
2

95 .74
96 .64
97 .55
98 .43
99 .31

10
1L
2
1L
5

12
11
11
13
12

2
6
6
2
4

2
1
3
1
4

100 .22
102 .96
106 .59
110 .36
111 .31

5 .055
4 .377
3 .307
3 .093
2 .768

Lattice constant of this sample

a = 12.3774(2) A
Volume
0
1896.22 A 3
Density
(calculated) 5.170 g/cm 3
Polymorphism
Shimada et al. [1968] reported the existence
of a dense allotropic form.
Figure of merit
F 30 = 88.4(0.010,35)
Reference intensity
Additional pattern
PDF card 27-977 [B. Greenberg (1966). Poly
technic Institute of New York, Brooklyn, NY]
References
Batt, A. and Post, B. (1962).
15, 1268,

Acta Crystallogr.

Euler, F. and Bruce, J. A. (1965).

Crystallogr. 1.9, 971.
Geller, S. and Gilleo, J. (1957).
Chem. Solids 3, 30.

Acta
J. Phys .

Shimada, M. , Kume , S., and Koizumi, M. (1968).

J. Amer. Ceram. Soc. 51 , 713.

1 .0039

.9845
.9608
.9383
.9330
38

10

11

Iron Yttrium Oxide, Fe5Y3 0 12 - (continued)

d(A)

x rel

28( )

hk

o = 2
.9277
.9225
.9175
.9125
.8933

1L
13
6
5
5

12
12
13
12
8

5
6
3
6
8

3
0
2
2
8

112 .26
113 .23
114 .19
115 .17
119 .15

.8624
.8582
.8501
.8422

2
3
12
11

14
12
14
14

3
8
4
4

1
0
0
2

126 .56
127 .67
129 .95
132 .31

39

Lithium Iodide Hydrate, LiI-3H20

Synonym
Lithium iodide trihydrate

d(A)

Sample
The sample was from ICN Pharmaceuticals
Inc., Plainview, NY, It was marked "Lithium
Iodide Anhydrous. 1' The material was hygro
scopic and the intensities may be somewhat
in error.
Color
Light brown
Structure
Hexagonal, P6 3mc (186), Z = 2. The structure
of LiI-3H20 was studied by Hendricks [1928]
and discussed by West [1934].
lattice constants of this sample
a = 7.4907(11) A
c = 5.4859(11)
c/a = 0.7323
0
v/olume
266.58 A 3

Density
(calculated) 2.341 g/cm 3
Figure of merit
F 27 = 59.9(0.015,30)
Additional pattern
PDF card 1-0411 [Hanawalt et al., 1938]
References
Hanawalt, J. D. , Rinn, H. W. , and Frevel,
L. K. (1938). Ind. Eng. Chem. Anal. Ed.
Hendricks, S. B. (1928).
403.

Am. J. Sci. 15,

West, C. D. (1934). Z. Kristallogr.

Kristallgeometrie Kristallphys. Kristallchem. 88, 198.
o

CuKa l \ = 1.540598 A; temp 25 1 C

Internal standard Si, a = 5 43088 A

6. 50
4. 186
3. 743
3. 242
2. 793

7
100
57
19
92

26( )

hk

I rel

0 =

26( )

hk

o = 5

CAS registry no.

7790-22-9

d(A)

I" 1

1
1
1
2
2

0
0
1
0
0

0
1
0
0
1

13
21
23
27
32

62
21
75
49
02

40

2.741
2.527
2.452
2.238
2.211

23
6
17
39
30

0
1
2
2
1

0
0
1
1
1

2
2
0
1
2

32.64
35.49
36.62
40.27
40.78

2.164
2.093
2.012
1.872
1.827

14
17
3
13
15

3
2
3
2
2

0
0
0
2
1

0
2
1
0
2

41.71
43.18
45.02
48.61
49.86

1.7992
1.7603
1.7102
1.6985
1.5931

4
9
28
9
10

3
1
3
3
2

1
0
0

0
3
1
2
3

50.70
51.90
53.54
53.94
57.83

1.5552
1.5474
1.5044
1.4661
1.4362

10
9
5
7
15

4
2
3
2
3

0
2
1
1
2

1
2
2
3
1

59.38
59.71
61.60
63.39
64.87

1.4157
1.3956

8
3

4
4

1
0

0
2

65.93
67.00

Magnesium Phosphate, aSynonym

Magnesium pyrophosphate

CuKa 1 \ = 1.540598 A; temp. 25 1 C

Internal standard Ag, a = 4.08651 A

Sample
The sample was prepared at NBS. The com
position of a commercially available sample
of magnesium phosphate (mixed phases) was
adjusted with additions of (NH4 )H2P04 . The
mixture was fused and resolidified to yield
single phase a-Mg2P20?- After being ground,
the sample was annealed at 140 C for 5 hours
and slowly cooled to room temperature.

a = 1

Color
Colorless
Structure
Monoclinic, P2 x /n (14), Z = 4. The structure
was determined by Calvo [1967].
Lattice constants of this sample
8.9124(16) A
a =
8.290(2)
b =
6.9492(15)
c =
p = 111.70(1)

6.37
5.104
4.373
4.149
3.860

2
3
3
23
1

-1
0
1
0

0
1
0
2
1

1
1
1
0
1

13.90
17.36
20.29
21.40
23.02

3.805
3.710M
3.710M
3.492
3.181

3
1

-2
1
2
0
-2

1
2
1
2
0

1
0
0
2

23.36
23.97
23.97
25.49
28.03

0
1
-2
-3
2

1
2
1
0
2

2
1
2
1
0

29.68
29.68
30.12
30.12
30.50

2
-3
-1
1
3

1
1
2
3
1

1
1
2
0
0

31.54
32.00
33.62
34.19
34.19

3.008M
3.008M
2.965M
2.965M
2.929

a/b * 1.0751
c/b = 0.8383

2.834
2.795
2.664
2.620M
2.620M

0
Volume
477.05 A3
Density
(calculated) 3.099 g/cm3
Polymorphism
A high-temperature p-form exists and is also
monoclinic, with a and c roughly half as
large as in the a-phase. The phase trans
formation was found to be reversible, and
both phases coexist from 59 to 63 C [Calvo
et al., 1967].
Figure of merit
F3o = 27.6(0.016,70)
Reference intensity
Additional pattern
PDF card 22-1152 [Swanson et al., 1971].
This pattern on the card and in the reference
both have substantial errors.
References
Calvo, C. (1967).

26( )

hkJE

d(A)

Acta Crystallogr. 23, 289.

Calvo, C., Datars, W. R. , and Leung, J. S.

(1967). J. Chem. Phys. 46, 796.
Swanson, H. E., McMurdie, H. F., Morris,
M. C., Evans, E. H. , and Paretzkin, B.
(1971). Natl. Bur. Stand. U.S. Monogr.
25, Sec. 9, 73.

41

3
6
100
44
3
3
1L
1
4

2.534
2.523
2.411
2.299M
2.299M

7
12
6
1

-1
-2
-3
2
3

3
2
2
3
2

1
2
1
0
0

35.40
35.55
37.26
39.16
39.16

2.257
2.149
2.121
2.099
2.071+

1L
4
1L
13
6

1
-4
-3
0
-4

2
1
0
3
1

2
1
3
2
2

39.91
42.01
42.60
43.06
43.67

2.071+
2.053
2.011M
2. OHM
1.980

3
4
1L

4
-3
-1
1
3

0
1
2
4
2

0
3
3
0
1

43.67
44.07
45.04
45.04
45.80

1.973
1.953
1.932
1.928
1.910

1L
1L
1L
1L
1L

0
3
2
1
0

4
3
2
3
2

1
0
2
2
3

45.97
46.46
46.99
47.11
47.57

1.907
1.886
1.873
1.869
1.851

1L
1L
6
6
8

-3
-3
1
1
4

3
2
4
1
2

2
3
1
3
0

47.65
48.21
48.57
48.68
49.17

Magnesium Phosphate, crMg2 P207 - (continued)

26( )

hk*

d(A)
o = 1
1.780
1.770
1.7466
1.7364M
1.7364M

1L
2
1
1

-1
-5
3
-2
-2

4
0
3
0
4

2
1
1
4
2

51.30
51.61
52.34
52.67
52.67

1.7333
1.7111
1.6991M
1.6991M
1.6812

1L
4
6

-4
-4
-2
-3
-3

3
2
1
4
3

1
3
4
1
3

52.77
53.51
53.92
53.92
54.54

1.6579M
1.6579M
1.6410+
1.6410+
1.6373

1L
2

-3
3
1
2
-5

1
4
4
1
0

4
0
2
3
3

55.37
55.37
55.99
55.99
56.13

1.6245
1.6214
1.6138
1.6056M
1.6056M

5
4
5
4

5
-5
0
-5
0

1
2
0
1
5

0
2
4
3
1

56.61
56.73
57.02
57.34
57.34

1.5889
1.5752
1.5519
1.5254
1.5222

2
11
1L
1
2

-4
1
2
3
-5

0
3
2
4'
2

4
3
3
1
3

58.00
58.55
59.52
60.66
60.80

1.5035M
1.5035M
1.4825+
1.4825+
1.4751

0
2
-6
-3
0

2
4
0
4
5

4
2
2
3
2

61.64
61.64
62.61
62.61
62.96

-2
-2
4
5
3

3
5
4
1
1

4
2
0
1
3

63.22
63.22
63.47
63.95
65.02

-5

65.02

1.4697M
1.4697M
1.4645
1.4546
1.4333M

2
2
4
4
1L
1L

1.4333M

42

Manganese, p-Mn
CAS registry no.
7439-96-5

\ = 1.540598 A; temp. 25+1 C

0
Internal standard w, a = 3.16524 A

CuKof

Sample
A sample of -Mn from Fisher Scientific Co.,
Fair Lawn, NJ, was heated to 1065 C in
vacuum and annealed for 3 hours. It
contained a small amount of MnO.

a =

Color
Olive gray

4.458
2.823
2.577
2.231
2.104

Structure
Cubic, P4 1>332 (212 or 213), Z = 20. The
structure was determined by Westgren and
Phragmen [1925].
Lattice constant of this sample
a = 6.3116(3) A
0
Volume
251.43 A3
Density
(calculated) 7.270 g/cm3
Polymorphism
There are also -, Y~ aQd 6-Mn, the most
probable transition temperatures being
- p, 700 C, p - Y, 1079 C, and
Y J 6 1143 C [Sully, 1955],
Figure of merit
^26 = 71.2(0.011,33)
Additional pattern
PDF card 1-1234 [Hanawalt, Rinn, and
Frevel, 1938]
References
Hanawalt, J. D., Rinn, H. W., and Frevel,
L. K. (1938). Ind. Eng. Chem. Anal, Ed.
10, 457.
Sully, A. H. (1955). Manganese (Butterworth
Scientific Publications, London) p 127.
Westgren, A. and Phragmen, G. (1925).
Phys. 33, 777.

hkJII

d(A)

2.

43

3
5
5
7
100

26( )

1
2
2
2
2

1
1
1
2
2

0
0
1
0

19.90
31.67
34.79
40.39
42.95

1.9965
1.9039
1.7509
1.6872
1.5307

62
27
2
9
1L

3
3
3
3
4

1
1
2
2
1

1.4874
1.4478
1.4115
1.3775
1.3457

6
1L
5
1
3

3
3
4
4
3

3
3
2
2
3

62.38
64.29
66.15
68.00
69.84

2
0
0
1
0

73-46
75.20
76.98
78.72
82-17

1
2
0

83.87
90.74
92.45
94.17
95.86

97.63

1.2880
1.2625
1.2377
1.2146
1.1721

3
2
26
5
19

4
4
5
5
5

2
3
1
1
2

1.1526
1.0824
1.0668
1.0518
1.0377

5
2
5
8
4

5
5
5
4
6

2
3
3
4
1

1.0237

1
0

1
0

1
0

45.39
47.73
52.20
54.33
60.43

Molybdenum Oxide, Mo02

Synonym
Molybdenum dioxide

CuKof. \ = 1.540598 A; temp. 25 1

Internal standard Si, a = 5.43088 A

Sample
The sample was made at NBS by H. S. Parker
by heating MoC>3 in a Mo boat for 20 hours
at 372 C in an atmosphere of 95% N2 and
5% H2 gases. This was followed by heating
at 590 C for 90 hours under the same
conditions.
Color
Black
Structure
Monoclinic, P2 1 /n. (14), Z = 4. Distorted
rutile structure. The structure of Mo02
was studied by Magneli et al. [1952] and
by Magneli and Andersson [1955]. The
structure was refined by Brandt and
Skapski [1967]. The latter gave the
structure using the P2i/c form of the
space group.
Lattice constants of this sample
a
b
c
P

=
=
=
=

5.6068(7) A
4.8595(9)
5.5373(9)
119.37

a/b = 1.1538
c/b = 1.1395
0
Volume
131.48 A3
Density
(calculated) 6.463 g/cm 3
Figure of merit
F 30 - 25.5(0.017,68)
Additional patterns
PDF card 5-452 [Magneli et al., Univ. of
Uppasla, Sweden]
Magne'li et al. [1952]
Brandt and Skapski [1967]
References
Brandt, B. G. and Skapski, A. C. (1967).
Acta Chem. Scand. 21, 661.
Magneli, A. and Andersson, G. (1955).
Chem. Scand. 9, 1378.

C
0

CAS registry no.

18868-43-4

Acta

Magneli, A., Andersson, G., Blomberg, B.,

and Kihlborg, L. (1952). Anal. Chem., 24,
1998.

d(A)

I rel
o =

hkJfc

26( )

4
28

-1
0
-1
1
2

0
1
1
0
0

1
1
1
1
0

18.45
26.03
26.03
31.78
36.78

2.437
2.426
2.403
2.181
2.171M

32
69
34
6
2

1
-2
-2
2
0

1
1
0
1
2

1
1
2
0
1

36.86
37.03
37.40
41.36
41.57

2.171M
2.156
1.841
1.725
1.723

5
11
28
34

-1
-2
-3
2
2

2
1
0
1
2

1
2
1
1
0

41.57
41,87
49.48
53.04
53.11

1.711
1.709
1.6976
1.6033
1.5443

41
33
22
1
7

-3
-2
-2
-3
3

1
2
1
0
1

2
2
3
3
0

53.52
53.58
53.97
57.43
59.84

1.5360M
1.5360M
1.5272
1.4676
1.4057

13

0
-1
0
-3
2

3
3
1
2
0

1
1
3
1
2

60.20
60,20
60,58
63.32
66,46

1.4019M
1.4019M
1.3845
1.3548
1.3448M

21
5
2
1

-2
-4
-2
3
0

3
0
0
0
3

1
2
4
1
2

66.66
66,66
67.61
69.30
69.89

1
5
5
1L

1
-3
-4
-4
-3

0
2
1
1
1

3
3
1
3
4

69.89
70.29
72.46
73.25
73.80

4
2
2
0
1

0
3
2
4
3

0
1
2
0
2,

78.16
78.50
78.50
78.72
78.72

-2
-2
-4
3
1

3
2
0
2
2

3
4
4
1
3

79.27
79.65
79.65
81.20
81.81

4.805
3.420M
3.420M
2.813
2.442

2
100

1.3448M
1.3381
1.3033
1.2912
1.2829

9
4
4

1.2219
1.2175M
1.2175M
1.2146M
1.2146M

7
10

1.2076
1.2028M
1.2028M
1.1837
1.1764

7
4

2
1

Molybdenum Oxide, Mo02 - (continued)

hk

d(A)
a =
1 .1485
1 .1414
1 .1155
1 .1113
1 .0911
1 .0879M
1 .0879M
1 .0849
1 .0807
1 .0780

2
4
1L
2
6
10
8
4
8

45

26( )

6
3
0
1
-5
4

3
3
4
0
2

0
3
1
3
0

84 .24
84 .89
87 .35
87 .76
89 .82

2
-5
0
0
-4

4
1
4
2
2

0
2
2
4
4

90 .16
90 .16
90 .47
90 .92
91 .22

Neodymium Tantalum Oxide, NdTa04

Santoro, A., Marezio, M., Roth, R. S.,
and Minor, D. B. (1980). J. Solid State
Chem. 35, 167.

Synonym
Neodymium tantalate
GAS registry no.
12344-26-4

Stubican, V. S. (1964).
Soc. 47, 55.

Sample
The sample was prepared at NBS by heating
Nd20 3 and Ta 20 5 overnight at 1000 C,
grinding and reheating at 1600 C for a
period of 16-20 hours, and quenched.

CuKa 1 X = 1.540598 A; temp. 25 1

o =

2
1
2
3
2

0
0
1
0
1

15.76
17.98
27.67
28.84
29.70

24
23
21
1L
1L

0
2
0
-2
0

4
0
0
1
2

0
0
2
1
2

31.82
32.60
35.24
36.48
38.80

2.2047
2.1827
2.0925
2.0797
2.0554

1
1
1
2
8

1
1
-2
1
0

4
1
3
5
5

1
2
1
0
1

40.90
41.33
43.20
43.48
44.02

2.0218
1.9718
1.9630
1.9130
1.8854

3
11
38
3
30

-1
2
2
1
0

3
3
4
3
4

2
1
0
2
2

44.79
45.99
46.21
47.49
48.23

1.8730
1.8557
1.7795
1.6950
1.6912

2
1
11
21
20

0
-2
2
-3
-1

6
2
0
2
6

0
2
2
1
1

48.57
49.05
51.30
54.06
54.19

1.6775M
1.6775M
1.6571
1.6408
1.6141

-2
0
1
-1
2

5
1
6
5
5

1
3
1
2
1

54.67
54.67
55.40
56.00
57.01

2
4

-2
3
-1
1
2

4
2
2
5
6

2
1
3
2
0

57.15
57.56
57.56
58.31
59.76

5
1
12
3

-3
1
0
1
0

1
7
7
2
6

2
0
1
3
2

59.76
60.00
60.43
60.97
61.41

2.810
2.745
2.5447
2.4610
2.3191

Lattice constants of this sample

a/b = 0.4907
c/a = 0.4553
0
Volume
315.30 A3
Density
(calculated) 8.199 g/cm3
Polymorphism
When heated to about 1320 C NdTa04 undergoes
a readily reversible phase change to a
tetragonal structure of the fergusonite type,
very similar to scheelite, CaW04 [Stubican,
1964].
Figure of Merit
F30 = 101.2(0.007,41)

1.6105
1.6000M
1.6000M
1.5812
1.5462M

Additional pattern
PDF card 16-745 [Stubican, 1964]
Sov. Phys. Crystallogr.

1.5462M
1.5406
1.5307
1.5184
1.5086

Kuo, C., Wang, I., Wang, H., Wang, C., and Hou,
H. (1973). Ti Chiu Hua Hsueh (Geochemica
Peking) 2, 86.
Roth, R. S., Negas, T., Parker, H. S., Minor,
D. B., and Jones, C. (1977). Mat. Res. Bull.
12, 1173.

46

4
0
1
-1
1
1

5.619
4.930
3.221
3.093
3.006

= 5.5136(7)A
= 11.2356(8)
= 5.1151(5)
= 95.717(11)

26( )

hk*

d(A)

Structure
Monoclinic, I2/a (15), Z = 4. The structure
of NdTa0 4 has been determined using neutron
powder diffraction by Santoro et al. [1980].
This phase was earlier reported to be in
space group Ia(5) by Komkov [1959]. NdTa04
is isostructural with other rare earth niobates
and tantalates [Roth et al., 1977]. The
structure type is a distorted scheelite called
beta-fergusonite (Ce) or brocenite. [Kuo
et al., 1975].

References
Komkov, A. I. (1959).
4, 796.

Internal standard Si, a = 5.43088 A

Color
Very pale violet

a
b
c
P

J. Amer. Ceram.

5
8
100
5
88

9
3
10
6
29

Neodymium Tantalum Oxide, NdTa04 - (continued)

d(A)

jrel
a =

1.5030M
1.5030M
1.4342M
1.4342M
1.4181

1.4042
1.4015
1.3715
1.3545M
1.3545M

hki

20(0)

4
2
-3
3
-1
3

4
4
4
4
5

2
1
1
3
0

61.66
61.66
64.97
64.97
65.80

2
1
4
1

0
-2
4
-2
0

8
3
0
7
5

0
3
0
1
3

66.54
66.68
68.34
69.32
69.32

1.3345
1.3224
1.3066
1.3018
1.2895M

3
1
1L
2
3

-1
-1
1
1
2

7
8
8
7
6

2
1
1
2
2

70.51
71.25
72.25
72.56
73.36

1.2895M
1.2726
1.2609

6
6

-3
0
-4

6
0
0

1
4
2

73.36
74.50
75.31

47

Neodymium Titanium Oxide, Nd2Ti05

Synonym
Neodymium titanate

= 1.540598 A; temp. 25 1 C
o
Internal standard W, a = 3.16524 A

GAS registry no.

12058-94-5

hkJi

d(A)

Sample
The sample was obtained from Alfa Products,
Thiokol/Ventron Division, Danvers, MA. The
material was heated at 1450 C for 5% days,
then reheated at 1550 C for 6\ days in
a platinum crucible. Material appears to
be slightly rich in Ti02 .

26( )

a = +3

Color
Pale blue
Structure
Orthorhombic, Pnam (62), Z = 4, isostructural
with La 2Ti0 5 . The structure of Nd2Ti05 was
determined by Miiller-Buschbaum and Scheunemann
(1973).
Lattice constants of this sample
a = 10.7251(9) A
b = 11.3407(10)
c = 3.8457(4)
a/b = 0,9457
c/b = 0.3391
o
Volume
467.75 A3
Density
(calculated) 5,913 g/cm3
Figure of merit
F30 = 98.8(0.008,36)
References
Miiller-Buschbaum, Hk, and Scheunemann, K.
[1973]. J. Inorg. Nucl. Chem. 35, 1091.

48

7.78
5.669
5.359
5.010
4.847

15
5
6
11
9

1
0
2
1
2

1
2
0
2
1

0
0
0
0
0

11.36
15.62
16.53
17.69
18.29

3.895
3.642
3.566
3.449
3.409

7
5
25
8
5

2
0
1
1
3

2
1
3
1
1

22.81
24.42
24.95
25.81
26.12

3.126
3.089
3.051
3.023
3.014

100
76
13
21
17

2
2
1
3
2

0
3
2
2
1

1
1

28.53
28.88
29.25
29.52
29.62

2.836
2.743
2.736
2.695
2.683

3
4
4
41
19

0
1
2
0
4

4 0
4 0
2 1
3 1
0 0

31.52
32.62
32.70
33.21
33.37

2.616
2.609
2.598
2.550
2.4082

19
18
13
6
1

1
4
3
3
2

3
1
3
1
3

34.25
34.34
34.50
35.16
37.31

2.3763
2.2187
2.1588
2.1529
2.1078

10
9
9
16
4

3 2
1 5
4 1
3 3
5 1

2.1004
2.0510
2.0070
1,9478
1.9233+

6
11
3
5
26

2 4
4 2
5 2
4 4
3 4

1.9233+
1.9009
1.8901
1.8650
1.8607

42
6
8
16

0
4
0
5
1

1.8483
1.8354
1.8206
1.7955
1.7873M

8
1
2
2
3

i
0
1

1
0
0

0
0

1
1
1

1
1
0

1
1
0
0

0
3
6
3
6

5 1
2 5
0 2
1 2
6 0

1
1

0
0
0

2
2
0

37.83
40.63
41.81
41.93
42.87
43.03
44.12
45.14
46.59
47.22
47.22
47.81
48.10
48.79
48.91
49.26
49.63
50.06
50.81
51.06

Neodyraium Titanium Oxide, Nd2Ti05 - (continued)

26( )

bk*

d(A)

a = 3

1.7376
1 . 7248

10
2
4
2

2
5
6
4
2

1
2
1
4
2

2
1
0
1
2

51.06
51.33
51.73
52.63
53.05

1.7150
1.7105
1 . 7049
1.6927
1.6758M

9
7
5
6
18

3
5
6
1
1

5
4
2
3
6

1
0
0
2
1

53.38
53.53
53.72
54.14
54.73

1.6758M
1.6710
1.6320
1.6227
1.6164M

8
23
11
13

3
3
2
3
6

1
6
3
2
3

2
0
2
2
0

54.73
54.90
56.33
56.68
56.92

1.6164M
1.6046
1.5916
1.5787
1.5745

8
1
2
1

2 6 1
6 1 1
0 4 2
4 5 1
1 4 2

56.92
57.38
57.89
58.41
58.58

5 4
4 0
6 2
5 5
4 1

1
2
1
0
2

59.07
59.07
59.23
59.23
59.68

3
4
3
7
6

3
6
6
1
4

2
0
1
0
0

59.82
59.82
60.36
60.97
61.25

0
7
1
3
5

7
2
7
4
5

1
0
1
2
1

62.11
62.79
62.79
63.99
64.45

3
7
1
3
6

2
1
2
0
0

64.45
64.76
65.67
65.67
65.80

1 . 7873M
1.7785
1.7657

1.5626M
1.5626M
1.5588M
1.5588M
1.5481
1.5448M
1.5448M
1.5323
1.5184
1.5121
1.4932
1.4787M
1.4787M
1.4538
1.4445M

7
6
6
8
7
5
2
2
4
5
1

1.4445M
1.4384
1.4206M
1.4206M
1.4181M

3
3
3

4
2
5
7
5

1.4181M
1.4070
1.4042
1.3880
1.3807

4
3
3
3

0
6
6
5
7

8 0
4 1
5 0
2 2
2 1

65.80
66.39
66.54
67.42
67.82

1.3777
1.3685

3
3

3
4

7
4

1
2

67.99
68.51

49

Neodymium Titanium Oxide, Nd2Ti 207

Synonym
Neodymium titanate

hk

d(A)

20 ( )

a = 3

CAS registry no.

12035-31-3
Sample
The sample was prepared at NBS by solid
state reaction of stoichiometric amounts
of Nd 203 and Ti02 . The mixture was heated
at 1200 C for 1 day, then ground and heated
at 1425 C for 6 days.
Color
Unground, light violet
Ground, very light purplish blue
Structure
Monoclinic, P2 l (4), Z = 4.
1974].

[Kimura et al.,

Lattice constants of this sample

a = 13.008(2)A
b = 5.4648(7)
c = 7.679(2)
p = 98.56(2)
a/b = 2.3803
c/b = 1.4052

4 .432
4 .314
4 .162
4 .085
3 .998

1L
1L
46
1
1

0
-1
2
1
-3

1
1
1
1
0

1
1
0
1
1

20 .02
20 .57
21 .33
21 .74
22 .22

3 .797M
3 .797M
3 .511M
3 .511M
3 .372

12

-1
0
2
-2
3

0
0
1
0
1

2
2
1
2
0

23 .41
23 .41
25 .35
25 .35
26 .41

3 .216
3 .119M
3 .119M
3 .077M
3 .077M

50
26

4
-1
0
-3
2

0
2
2
2
2

27 .72
28 .60
28 .60
29 .00
29 .00

2 .950M
2 .950M
2 .770
2 .732
2 .681M

100

2
1

2
2
0
0
2

30 .27
30 .27
32 .29
32 .75
33 .40

2 1
-4 0
3 0
5 0
0 2

2
2
2
0
1

33 .40
33 .74
33 .74
34 .87
34 .87

-1
-5
-1
4
-2

0
0
2
1
2

3
1
1
1
1

35 .08
35 .08
35 .20
35 .85
36 .95

-4
3
2
5
-1

1
1
2
1
1

2
2
1
0
3

37 .65
37 .65
38 .32
38 .64
38 .87

-5 1
-5 0
4 0
-3 2
-1 2

1
2
2
1
2

38 .87
39 .26
39 .26
39 .93
40 .64

0
-2
1
6
-5

2
2
2
0
1

2
2
2
0
2

40 .64
41 .90
41 .90
42 .12
42 .74

4
4
-3
2
5

1
2
2
2
0

2
0
2
2
2

42 .74
43 .43
44 .30
44 .30
45 .40

2 .681M
2 .654M
2 .654M
2 .571M
2 .571M

Volume
0
539.79 A3
Density
(calculated) 6.107 g/cm3

2 .556M
2 .556M
2 .548
2 .503
2 .431

Figure of merit
F30 = 41.7(0.012,61)
Additional pattern
PDF card 29-923 [Smith, C. and McCarthy
(1977). Pennsylvania State Univ.,
University Park, PA)

2 -387M
2 .387M
2 .347
2 .328
2 .315M

Reference
Kimura, M., Nanamatsu, S., Kauamura, T.,
and Matsushita, S. (1974). Jpn. J. Appl.
Phys. 13, 1473.

2 .315M
2 .293M
2 .293M
2 .256
2 .218M

CuKa i \ = 1.540598 A; temp 25 1 C

o
Internal standard Ag, a = 4 .08651 A
d(A)

I rel
0 = 3

hk

12 .87
7 .03
6 .43
6 .15
5 .029

1L
1L
9
1L
5

1 0 0
-1 0 1
2 0 0
1 0 1
1 1 0

2 .218M
2 .154M
2 .154M
2 .144
2 .114M

29( )

2 .114M
2 .082
2 .043M
2 .043M
1 .9961M

6 .86
12 .59
13 .76
14 .39
17 .62

50

11
9

13

29
35
50
24
3

4
3
1
1L
1L
2
6
3
2
3
18
4
6
12
26
14
10

-2
1
4
0
-3

1
1
0
0

1
1

Neodymium Titanium Oxide, Nd2Ti 207 - (continued)

d(A)

hk*

28( )

1.9961M
1.9605
1.9558
1.9199M
1.9199M
1.9043M
1.9043M
1.8748
1.8682M
1.8682M

1
1
28
18
20
10

1.8593
1.8403+
1.8403+
1.8368
1.8038

5
1

1.7756M
1 . 7756M
1 . 7708M
1.7708M
1.7584

1
1L

4
8

1.7531+
1.7531+
1.7438M
1.7438M
1,7282

10

1.6927
1.6872
1.6744M
1.6744M
1.6688M

2
4
7

1.6688M
1.6574
1.6481M
1.6481M
1.6424M
1.6424M
1.6164+
1.6164+
1.6125M
1.6125M
1.6084M
1.6084M
1.5901
1.5846
1.5782M
1.5782M
1.5706
1.5679M
1.5679M
1.5597M

13
1

4
3
13
10
12
6
3
2
6
9
20
24
4

hk*

d(A)

26( )

a = +3

a = 3

6
4
-5
-1
3

1
2
0
0
1

0
1
3
4
3

45.40
46.27
46.39
47.31
47.31

1.5597M
1.5422
1.5387
1.5279M
1.5279M

-4
3
5
6
-1

2
2
1
1
2

2
2
2
1
3

47.72
47.72
48.52
48.70
48.70

1.5050
1.4861M
1.4861M
1.4791M
1.4791M

5
2

4
-5
-3
7
1

0
1
0
0
3

3
3
4
0
0

48.95
49.49
49.49
49.59
50.56

1.4713M
1.4713M
1.4295M
1.4295M

-3
5
0
-6
6

2
2
3
0
0

3
1
1
3
2

51.42
51.42
51.57
51.57
51.96

-4
2
-3
1
7

0
3
1
1
0

4
0
4
4
1

52.13
52.13
52.43
52.43
52.94

2
6
-7
6
-4

3
2
1
1
1

1
0
2
2
4

54.14
54.33
54.78
54.78
54.98

2
-3
7
3
-1

1
3
1
0
3

4
1
1
4
2

54.98
55.39
55.73
55.73
55.94

0
-2
1
-6
5

3
3
3
2
2

2
2
2
2
2

55.94
56.92
56.92
57.07
57.07

5
8
-5
4
-5

1
0
2
3
1

3
0
3
0
4

57.23
57.23
57.95
58.17
58.43

3
-1
-3
2
-2

1
2
3
3
2

4
4
2
2
4

58.43
58.74
58.85
58.85
59.19

51

5
5
2

0
8
-6
6
8

2
1
0
0
0

4
0
4
3
1

59.19
59.93
60.08
60.55
60.55

7
5
-6
-7
0

1
3
2
2
3

2
0
3
2
3

61.57
62.44
62.44
62.77
62.77

6
8
5
9

1
1
0
0

3
1
4
0

63.14
63.14
65.21
65.21

Neodymium Titanium Oxide, Nd4Ti 9024

Synonym
Neodymium titanate

CuKa. \ = 1.540598 A; temp. 25 1

1

C
0

Internal standard Ag, a = 4.08651 A

Sample
The sample was prepared at NBS using BaTi03 ,
Ti02 , and very low alkaline content Nd 203 .
Stoichiometric amounts of the constituents
were blended with mortar and pestle, then
calcined in a platinum crucible, with
periodic grindings. An initial calcine at
1250 C for 1 day, followed by a second
heating at 1350 C for about 3 days was
sufficient to yield a single phase product.

d(A)

I"1

hk4

26( )

a = 3

Color
Very light purplish blue
Structure
Orthorhombic, Fddd (70), determined from a
single crystal, by Kolar et al. [1981].
2 = 16 is consistent with the density
of 5.13, measured by Kolar et al. [1978].
Lattice constants of this sample
a = 14.475(2) A
b = 35.304(5)
c = 13,996(2)
a/b = 0.4100
c/b = 0.3964
Volume
0
7152.3 A3
Density
(calculated) 5.171 g/cm 3
(observed) 5.13 [Kolar et al., 1978]
Figure of merit
F30 = 53.1(0.011,51)
Additional patterns
Kolar et al. [1981]
Kolar et al. [1978], labeled m2 T 40 11
References
Kolar, D. Gabersek, S., Barbulescu, A.,
and Volavsek, B. (1978). J, Less-Common
Metals 60, 137.
Kolar, D., Gabersc'ek, S., Volavgek, B.,
Parker, H. S., and Roth, R. S. (1981).
J. Solid State Chem. 38, 158.

52

9.70
6.71
6.51
5.775
5.029

4
4
4
10
10

1
2
0
1
2

1
2
2
5
0

1
0
2
1
2

9.11
13.19
13.60
15.33
17.62

4.512M
4.512M
4.412M
4.412M
4.373

1
0
0
1
2

7
6
8
1
4

1
2
0
3
2

19.66
19.66
20.11
20.11
20.29

11
6
5

4.157
3.759
3.655
3.617
3.500

3
2
2
3

1
1
1
4
0

3
5
9
0
0

3
3
1
0
4

21.36
23.65
24.33
24.59
25.43

3.382
3.347
3.317
3.251
3.225

17
100
46
92
9

3
4
2
0
3

7
4
8
4
3

1
0
4
3

26.33
26.61
26.86
27.41
27.64

3.172
3.151
3.102
3.056
3.030

18
12
4
4
18

2 10
0 10
2 2
1 11
3 5

0
2
4
1
3

28.11
28.30
28.76
29.20
29.46

2.974
2.941M
2.941M
2.823M
2.823M

25
22

3 9
0 12
1 9
5 1
4 6

1
0
3
1
2

30.02
30.37
30.37
31.67
31.67

2.793
2.778
2.741M
2.741M
2.677

14
5
5

3
2
0
1
1

7
6
8
1
3

3
4
4
5
5

32.02
32.20
32.64
32.64
33.45

2.623M
2.623M
2.601
2.549
2.540

19
5
5
19

3
1
1
3
2

11
13
11
9
12

1
1
3
3
2

34.16
34.16
34.45
35.18
35.31

2.516
2.488
2.419
2.391
2.379

26
4
1
9
3

4 0
4 2
4 4
6 2
4 10

4
4
4
0
2

35.66
36.07
37.14
37.59
37.79

14

Neodymium Titanium Oxide, Nd4 Ti 9024 - (continued)

d(A)

I rel

26(0)

hW

d(A)

a = 3
2.351
2.334
2.313M
2.313M
2.298

6
1
6

2.283
2.251M
2.251M
2.231
2.220

14
9

2.207M
2.207M
2.186
2.168
2.153

14

a =
2 10
3 13
4 6
0 2
5 9

4
1
4
6
1

38.25
38.55
38.90
38.90
39.17

1.7435M
1 . 7435M
1.7309
1.7138M
1.7138M

4 12
0 12
1 9
6 6
2 0

0
4
5
0
6

39.43
40.02
40.02
40.39
40.61

1.7032
1.6878
1.6767
1.6707M
1.6707M

14
12
9

6 4
0 16
4 8
0 6
2 4

2
0
4
6
6

40.85
40.85
41.27
41.62
41.92

2.111
2.091
2.087
2.081
2.0431

11
2
2
2
1

3
3
1
1
7

13
15
11
15
1

3
1
5
3
1

2.0257
2.0206
1.9833M
1.9833M
1.9779

3
5
10

6 8
2 16
5 3
2 8
1 1

1.9730
1.9682
1.9650
1.9522M
1.9522M

8
14
11
3

1.9466
1.9268
1.9062
1.8938
1.8887+

7
3
2
7
12

1.8887+
1.8813M
1.8813M
1.8672M
1.8672M

7
.5

9
3

1.8611
1.8441M
1.8441M
1.8237M
1.8237M

1
3

1.8091
1.8028
1.7718M
1.7718M
1.7491

17
17
20

I rel

bk*

28( )

3
6
8
6
1
4

14
2
10
19
10

0
2
4
3
6

52.44
52.44
52.85
53.42
53.42

9
6
8
6

7 9
3 15
6 0
3 9
2 4

3
5
6
7
8

53.78
54.31
54.70
54.91
54.91

1.6577M
1.6577M
1.6470+
1.6470+
1.6437

4 16
1 21
6 4
7 3
5 1

4
1
6
5
7

55.38
55.38
55.77
55.77
55.89

42.81
43.23
43.33
43.46
44.30

1.6338M
1.6338M
1.6290+
1.6290+
1.6251

7 13
2 6
5 3
7 11
3 19

1
8
7
3
3

56.26
56.26
56.44
56.44
56.59

2
2
5
6
7

44.70
44.82
45.71
45.71
45.84

1.6167
1.6005+
1.6005+
1.5864+
1.5864+

5 13
8 2
1 13
2 8
4 20

5
4
7
8
0

56.91
57.54
57.54
58.10
58.10

6 2
2 14
7 5
1 3
5 11

4
4
1
7
3

45.96
46.08
46.16
46.48
46.48

1.5814
1.5762M
1.5762M
1.5718
1.5677M

8 4
3 17
0 20
1 21
6 8

4
5
4
3
6

58.30
58.51
58.51
58.69
58.86

0
3
1
2
0

10
15
5
18
18

6
3
7
0
2

46.62
47.13
47.67
48.00
48.14

1.5677M
1.5641M
1.5641M
1.5504M
1.5504M

2 22
0 22
5 7
4 4
8 6

0
2
7
8
4

58.86
59.01
59.01
59.58
59.58

7 1
6 6
1 17
7 3
0 16

3
4
3
3
4

48,14
48.34
48.34
48.73
48.73

1.5481M
1.5481M
1.5413
1.5318M
1.5318M

4
4
8
2
7

14
20
12
10
9

6
2
0
8
5

59.68
59.68
59.97
60.38
60.38

4 6
3 1
1 7
3 3
5 13

6
7
7
7
3

48.90
49.38
49.38
49.97
49.97

1.5284
1.5188

2 22
9 1

2
3

60.53
60.95

8 0
6 12
8 4
2 12
0 0

0
2
0
6
8

50.40
50.59
51.54
51.54
52.26

53

7
8
21

1L
1L

7
7
3
5
5
12
10
5
12
7
7
6
2
3
2
11

Nickel Titanium Oxide, NiTi03

Synonyms
Nickel titanate
Nickel metatitanate

CuKa 1 X = 1.540598 A; temp. 2511 C

Internal standard W, a = 3.16524 A

CAS registry no.

12035-39-1

26 (>)

a = 1

Color
Medium yellow
Structure
Hexagonal, R3 (148), 2 = 6, isostructural
with FeTi03 , Taylor [1930]. The structure
of NiTi03 was determined by Sullivan and
Pavlovic [1962].
Lattice constants of this sample
a = 5.0302(2) A
c = 13.7905(11)
c/a = 2.7415
Volume
0
302.19 A 3
Density
(calculated) 5.097 g/cm3
Figure of merit
F30 = 66.9(0.012,39)
Additional patterns
PDF card 17-617 [Skapski, Imperial College of
Sci. and Tech., London, Eng., Thesis, priv.
comm.J
Earth and Posnjak [1934]
References
Earth, T. F. W. and Posnjak, E. (1934). 2.
Kristallogr. Kristallogeom. Kristallphys.
Kristallchem. 88A, 271.
Sullivan, D. G. and Pavlovic, A. S. (1962).
Proc. W. V. Acad. Sci. 34, 173.
Taylor, N. W. (1930).
Leipzig B9, 241.

hU

d(A)

Sample
The sample obtained from Alfa Products,
Thiokol/Ventron Division, Danvers, MA was
a mixture of oxides. It was heated at
1050 C for 4% days in order to obtain a
single phase.

2. Phys. Chem.

54

4. 598
3. 685
2. 705
2. 516
2. 332

2
41
100
70
7

0
0
1
1
0

0
1
0
1
1

3
2
4
0
5

19 .29
24 .13
33 .09
35 .65
38 .58

2. 299
2. 207
2. 151
2. 077
1. 8417

3
30
1
3
36

0
1
0
2
0

0
2
0
2

6
3
1
2
4

39 .15
40.86
41 .96
43 .53
49 .45

1. 7949
1. 6962
1. 6352
1. 6025M
1. 6025M

1
53
1
9

1
1
2
0
1

0
1
1
1
2

7
6
1
8
2

50 .83
54 .02
56 .21
57 .46
57 .46

1. 5327
1. 4859
1. 4522
1. 4138
1. 3518

1L
26
28
1
3

0
2
3
1
2

0
1
0
2
0

9
4
0
5
8

60 .34
62 .45
64 .07
66 .03
69 .48

1. 3146
1. 3086
1. 2632
1. 2575
1. 2275

10
3
1
7
3

1
1
2
2
3

0 10
1 9
1 7
2 0
0 6

71 .74
72 .12
75 .15
75 .55
77 .74

1. 2129
1. 1903M
1. 1903M
1. 1650
1. 1492

2
4
5
1

2
1
3
0
0

2 3
2 8
1 2
2 10
0 12

78 .85
80 .65
80 .65
82 .78
84 .18

1. 1405
1. 1032
1. 0757
1. 0570
1. 0385

6
7
1L
7
3

1
2
0
2
4

3 4
2 6
4 2
1 10
0 4

84 .97
88 .57
91 .46
93 .56
95 .76

9894
. 9721
9598
. 9506
9309

3
2
6
4
1

3
2
3
4
4

1
2
2
1
1

8
9
4
0
3

102 .26
104 .82
106 .75
108 .26
111 .68

9207
9088

1
5

0
1

4 8
3 10

113 .58
115 .90

Potassium Fluoride Hydrate, KF-2H20

Synonym
Potassium fluoride dihydrate

CuKa x A = 1.540598 A; temp . 25 1 C

o
Internal standard W, a = 3 .16524 A

GAS registry no.

7789-23-3

d(A)

Sample
The sample was obtained from the Fisher
Scientific Co., Fair Lawn, NJ. It was
somewhat deliquescent.

I- 1
a =

Color
Colorless
Structure
Orthorhombic, Pb2 1 m (26), Z = 2. The
structure was determined by Anderson
and Lingafelter [1951].
Lattice constants of this sample
a = 5.1848(7) A
b = 8.8328(12)
c = 4.0850(6)
a/b = 0.5870
c/b = 0.4625
0
Volume
187.08 A3
Density
(calculated) 1.671 g/cm3
Figure of merit
F 30 = 110.4(0.009,32)
Additional pattern
PDF card 1-854 [Hanawalt et al., 1938]
References
Anderson, T. H. and Lingafelter, E. C.
(1951). Acta Crystallogr. 4, 181.
Hanawalt, J. D., Rinn, H. W., and Frevel,
L. K. (1938). Ind. Eng. Chem. Anal. Ed.
10, 457.

55

26( )

hk
5
0
1
2
0
2

0
0
0
1
0

17.10
19.85
20.10
21.75
26.48

0
1
2
2
3

1
1
1
1
0

27.78
29.61
29.77
34.50
35.01

2
2
0
1
2

1
2
4
3
1

0
0
0

36,08
40.31
40.83
41.60
42.51

23
10
9
26
35

0
1
2
2
0

0
4
2
3
4

2
0
1
0

44.31
44.55
46.24
46.65
46.72

1.9009
1.8579
1.8536
1.8193
1.7578

3
7
7
4
5

1
1
0
1
2

0
1
2
4
3

2
2
2
1
1

47.81
48.99
49.11
50.10
51.98

1.7453
1.7282
1.6962
1.6815
1.6722

8
1
11
1L
1L

1
3
3
2
1

2
0
1
4
5

2
0
0
0
0

52.38
52.94
54.02
54.53
54.86

1.6089
1.5969
1.5782
1.5662
1.5075

3
8
3
1L
1

3
1
2
3
2

2
3
1
1
2

0
2
2
1
2

57.21
57.68
58.43
58.92
61.46

1.4978
1.4599
1 . 4406
1.4157
1.4088

6
5
4
1
5

3
2
1
1
2

2
5
4
6
3

1
0
2
0
2

61.90
63.69
64.65
65.93
66.29

1.4001
1.3847

4
4

3
0

3
6

1
1

66.76
67.60

1
1
0
0

5.181
4.469
4.414
4.083
3.363

5
22
36
10
52

3.209
3.015
2.999
2.598
2.561

39
100
8
50
35

1
1
1
0
1
1

2.487
2.2356
2.2083
2.1692
2.1249

8
5
3
25
58

2.0426
2.0322
1.9618
1.9455
1.9427

1
1

Potassium Iron Cyanide, K4 Fe(CN) 6

Synonym
Potassium ferrocyanide

CuKa 1 \ = 1.540598 A; temp. 25 1 C

Internal standard Ag, a = 4. 08651 A

GAS registry no.

13943-58-3

d(A)

Sample
The sample was prepared by heating reagent
K4Fe(CN) 6 -H20 at 115 C for 3 weeks.
Color
Pale yellow
Structure
Orthorhombic, Bmmm (65), Z = 4. The cell was
found by use of the Visser program [1969]. The
space group was assigned by consideration of
the absences in the powder pattern*
Lattice constants of this sample
a = 14.010(7) A
b = 21.027(6)
c = 4.1751(13)

10.51
6.66
5.254
4.957
4.201M

7
10
12
16

0
2
0
2
0

2
1
4
3
5

0
0
0
0

8.41
13.29
16.86
17.88
21.13

4.201M
3.999
3.929
3.739
3.604

6
13
11
89

2
1
1
1
2

4
0
1
2
5

0
1
1
1
0

21.13
22.21
22.61
23.78
24.68

0
4
1
2
4

6
0
3
6
3

0
0

25.43
25.43
25.60
28.46
28.46

3.500M
3.500M
3.477
3.134M
3.134M

a/b = 0.6663
c/a = 0.1986
0
Volume
368.35 A3
Density
(calculated) 1.989 g/cm3
Figures of merit
F30 = 24.1(0.015,83)
M20 = 20.7
Additional pattern
PDF card 1-0877 [Hanawalt et al., 1938]
References
Hanawalt, J. D., Rinn, H. W., and Frevel, L. K.
(1938). Ind. Eng. Chem. Anal. Ed. 10, 457.
Visser, J. W. (1969).
2, 89.

26( )

hU

o = 1

J. Appl. Crystallogr.

24
22
47

0
0

1
1
1

3.078
2.985
2.844
2.759
2.626

39
100
65
22
2

3
3
3
2
0

1
2
3
7
8

0
0

28.99
29.91
31.43
32.43
34.11

2.501
2.402
2.206
2.197
2.129

7
10
22
35
32

3
1
5
1
5

5
7
3
8
4

1
1
1
1
1

35.88
37.41
40.88
41.05
42.43

2.102M
2.102M
2.087
2.040
2.015

11

0 10
4 8
0 0
6 5
2 10

0
0
2
0
0

43.00
43.00
43.31
44.36
44.95

8
9
6
7
5

1
0
0
0
2

45.09
46.71
46.71
49.43
50.47

4 10
6 8
8 1

0
0
0

50.58
52.38
52.38

2.009
1 . 943M
1 . 943M
1.842
1.807
1.8031
1.7453M
1.7453M

56

20
21
8
8
7
7
16
18
8

3
4
6
6
2

Potassium Vanadium Oxide, KV03

Synonym
Potassium vanadate

CuKcfj X = 1.540598 A; temp, 25 1

Sample
The sample was prepared at NBS by fusing
K2C03 and V205 .

d(A)

Color
Greyish pink

I rel
a =

a = 5.6955(12)1
b = 10.7961(10)
c = 5.1796(3)
a/b = 0.5276
c/a = 0.4798
0
Volume
318.49 A3
Density
(calculated) 2.879 g/cm3
Figure of merit
F30 = 107.3(0.007,41)
Additional pattern
PDF card 26-1342 [Feigelson et al., 1972]
Am.

Feigelson, R. S., Martin, G. W., and Johnson,

B. C. (1972). J. Cryst. Growth 13-14, 686.
Petrasova, M., Madar, J., and Hanic, F, (1958).
Chem. Zvesti 12, 410. .

57

26(0)

2
2
0
1
2
2

0
1
1
0
1

16.41
17.10
18.98
22.68
23.79

6
100
3
45
9

1
1
0
2
0

1
2
3
0
4

1
1
1
0
0

24.63
28.54
30.22
31.40
33.15

2.623
2.590
2.5185M
2.5185M
2.4391

15
18
2

1
0
2
0
1

3
0
2
1
4

1
2
0
2
0

34.16
34.61
35.62
35.62
36.82

2.3946
2.3353
2.3031
2.2063
2.1608

7
6
10
2
1

1
1
1

4
2
1
4
2

1
2
2
1
2

37.53
38.52
39.08
40.87
41.77

2.1018
2.0505
1.9932
1.9594
1.9164

4
3
3
15
5

0
2
0
2
2

3
3
5
4
0

2
1
1
0
2

43.00
44.13
45.47
46.30
47.40

1.8813
1.8686
1.7992
1.7753
1.7261

3
3
2
6
1

1
0
0
0

5
4
6
4
0

1
2
0
2
3

48.34
48.69
50.70
51.43
53.01

1.7040
1.6999
1.6915M
1.6915M
1.6585

9
10
10

0
0
3
2
0

1
6
2
3
5

3
1
1
2
2

53.75
53.89
54.18
54.18
55.35

1.6446
1.6328M
1.6328M
1.6290
1.5926

2
2
2
2

0
1
2
1
1

2
1
5
6
5

3
3
1
1
2

55.86
56.30
56.30
56.44
57.85

1.5799
1 .5624
1.5571
1.5531
1.5206

6
3
3
3
2

1
2
0
3
2

2
4
3
4
6

3
2
3
0
0

58.36
59.08
59.30
59.47
60.87

3.612
3.125
2.955
2.847
2.700

Lattice constants of this sample

hk

0
0
0
1
0

5.397
5.181
4.672
3.917
3.737

Structure
Orthorhombic, Pmab (57), Z = 4, isostructural
with NH4V03 [Evans and Block, 1954]. The
structure was determined by Petrasova et al.
[1958].

References
Evans, H. T. Jr. and Block, S. (1954).
Mineral. 39, 326.

Internal standard Ag, a = 4 08651 A

9
18
1L
16
18

18

Potassium Vandium Oxide, KV03 - (continued)

d(A)

I rel
a =

1 .5011
1 .4774+
1 .4774+
1 .4591
1 .4550
1 .4233M
1 .4233M
1 .4090M
1 .4090M
1 .3661
1 .3489M
1 .3489M
1 .3129
1 .2949M
1 .2949M

hkA

2
2
7
8
5
2
2
1
5
1L

1 .2856
1 .2729
1 .2591M
1 .2591M
1 .2540

2
2
2

1 .2459
1 .2431
1 .2296
1 .2184M
1 .2184M

3
3
1L
1

26( )

58

1
0
0
2
0

3
7
6
6
4

3
1
2
1
3

61. 75
62. 85
62. 85
63. 73
63. 93

2
4
1
3
2

2
0
4
3
3

3
0
3
2
3

65. 53
65. 53
66. 28
66. 28
68. 65

0
0
1
2
0

8
5
8
4
0

0
3
0
3
4

69. 65
69. 65
71. 85
73. 01
73. 01

0
1
4
0
1

1
8
4
2
1

4
1
0
4
4

73. 62
74. 48
75. 44
75. 44
75. 80

0
3
1
2
0

6
2
2
5
3

3
3
4
3
4

76. 38
76. 58
77- 58
78. 43
78. 43

Silicon Nitride, p-$i 3N4

Bull.

Synonym
Trisilicon tetranitride

Narita, K. and Mori, K. (1959).

Chem. Soc. Jpn. 32, 417.

CAS registry no.

12033-89-5

Ruddlesden, S. N. and Popper, P. (1958).

Acta Crystallogr.,V1, 465.

Sample
The sample was prepared at NBS by J. Waring
by heating Si 3N4 obtained from GTE Products,
Towanda, PA to 1785 C for 1 hr at 15 psig.
The sample was contained in a Si 3N4 crucible
within a molybdenum crucible.

Turkdogan, E. T. and Ignatowicz, S. (1957).

J. Iron Steel Inst. London 185, 200.
o

CuKa X = 1.540598 A; temp 25 1 C

Internal standard Si, a = 5 43088 A

Color
Greyish white

d(A)

Lattice constants of this sample

a = 7.6044(2)A
c = 2.9075(1)
c/a = 0.3823
0
Volume
145.61 A3
Density
(calculated) 3.200 g/cm3
Polymorphism
Turkdogan and Ignatowicz (1957) established
the existence of two forms of Si 3N4 . These
two forms Of and p generally occur together.
Ruddlesden and Popper (1958) reported the
possibility of a third form having still a
different stacking sequence.
Figure of merit
F30 = 108.2(0.009,32)
Additional patterns
PDF card 9-259 [Decker, General Elec. Co.,
NY, priv. comm.)
PDF card 29-1132 [Morris et al., 1977]
Hardie and Jack [1957]
Ruddlesden and Popper [1958]
Narita and Mori [1959]

Hardie, D. and Jack, K. H. (1957).

London 180, 332.

28( )

hkJfc

a = 2

Structure
Hexagonal, P6 3/m (176), Z = 2. The structure
was determined by Hardie and Jack [1957]
and confirmed by Borgen and Seip [1961].

References
Borgen, 0. and Seip, H. M. (1961).
Chem. Scand. 15, 1789.

x rel

Acta
Nature

Morris, M. C., McMurdie, H. F., Evans, E. H.,

Paritzkin, B., de Groot, J. H., Newberry, R.,
Hubbard, C. R., and Carmel, S. J. (1977)*
Natl. Bur. Stand. U.S. Monogr. 25, Sec. 14,
116.

59

1 0 0
1 1 0

13.44
23.39
27.06
33.67
36.05

6.583
3.800
3.293
2.660
2.489

34
35
100
99
93

2
1
2

0
0
1

0
1
0

2.310
2.1939
2.1797
1.9013
1.8916

9
10
31
8
5

1
3
2
2
2

1
0
0
2
1

1
0

1.8275
1.7525
1.5911
1.5467
1.5108

12
37
12
6
15

3
3
2
3
3

1
0
2
1
2

49.86
52.15
57.91
59.74
61.31

1.4534
1.4368
1.4325
1.4197
1.3579

15
8
5
1
1

0
4
4
1
1

0
1
0
0

2
0
1
2
2

64.01
64.84
65.06
65.72
69.12

1.3408
1.3299
1.3173
1.2883
1.2675

39
6
5
18
7

3
2
5
4
3

2
0
0
1
3

1
2
0
1
0

70.13
70.79
71.57
73.44
74.85

1.2554
1.2447
1.1998
1.1831
1.1618

16
1
2
2
1L

2
4
5
5
3

1
2
0
1
3

2
0
1
0
1

75.70
76.47
79.89
81.25
83.06

1.1551
1.1445
1.1377
1.0957
1.0828

2
3
3
4
3

2
4
3
5
4

2
2
1
1
3

2
1
2
1
0

83.65
84.60
85.23
89.34
90.70

1.0545
1.0476
1.0269
1.0219
1.0147

1L
6
1L
4
1

5 2
3 2
6 0
4 1
4 3

0
2
1
2
1

93.85
94.66
97.20
97.84
98.78

1
1
1

38.95
41.11
41.39
47.80
48.06

Silicon Nitride, p-Si 3N4 - (continued)

d(A)

hk
a =

26(0)

1.0043
.9914
.9761
.9589
.9554

2
3
4
3
5

6
5
5
1
3

1
2
0
0
3

0
1
2
3
2

100. 17
101. 97
104. 21
106. 90
107. 46

.9492
.9455
.9408
.9298
.9175

8
1
1
2
1

6
4
5
2
5

1
2
3
0
1

1
2
0
3
2

108. 49
109. 12
109. 93
111. 89
114. 19

.9132
.9034
.8950
.8866
.8722

3
4
3
5
6

6
4
5
3
7

2
4
3
0
1

0
1
1
3
0

115. 02
117. 00
118. 78
120. 65
124. 06

.8712
.8682
.8634
.8561
.8537

5
5
1
1
2

6
4
2
3
5

2
3
2
1
2

1
2
3
3
2

124. 29
125. 05
126. 29
128.27
128. 93

60

Silicon Oxide (Quartz-low), crSiQ2

Synonym
Silicon dioxide

X - 1.540598 A; temp 25 1 C
Internal standard Si, a - 5. 43088 A

CuKa

GAS registry no.

7631-86-9

d(A)

Sample
The sample was obtained from the Glass Sec
tion at NBS. The material was ground single
crystals of optical quality.

4 .257
3 .342
2 .457
2 .282
2 .237

Color
Colorless
Structure
Hexagonal, P3j21 (152), Z = 3, Bragg and
Gibbs [1925], Iwai et al. [1969] and Smith
and Alexander [1963] refined the structure.
Thermal effects have also been studied by
these authors.
Lattice constants of this sample
a = 4.9133(2) A
c = 5.4053(4)
c/a = 1.1001
Volume
0
113.00 A3
Density
(calculated) 2.649 g/cm3
Polymorphism
Silicon oxide, Si02 , crystallizes in many
other polymorphic forms.
Figure of merit
F 30 = 77.6(0.013,31)
Reference intensity
I/I
corundum = 4.32(3)
Additional pattern
PDF card 5-490 [Swanson et al., 1954], pattern
redone to reflect improved techniques for
measuring intensities. Citation to many
additional patterns is made in the above
reference.
References
Bragg, W. H. and Gibbs, R. E. (1925).
Roy. Soc. London A109, 405.

Proc.

Iwai, et al. (1969). Yogyo Kyokai Shi (J.

Ceram. Assoc. Japan) 77, 172.
Smith, G. S. and Alexander, L. (1963).
Crystallogr. 16, 462.

hk
0 -

Acta

Swanson, H. S., Fuyat, R. K., and Ugrinic,

G. M. (1954). Natl. Bur. Stand. U.S. Circ.
539, 3, 24.

61

22
100
8
8
4

26( )

1
1
1
1
1

0
0
1
0
0
0

0
1
0
2
1

20
26
36
39
40

85
65
54
46
29

0
1
2
-5
2

42
45
50
50
54

47
81
14
61
87

3
0
i
3
0

55
57
59
64
65

33
24
95
00
76

2 .127
1 .9792
1 .8179
1 .8021
1 .6719

6
4
14
1L
4

2
2
1
0

1 .6591
1 .6082
1 .5418
1 .4536
1 .4189

2
1L
9
1
1L

1
2
2
1
3

1 .3820
1 .3752
1 .3718
1 .2880
1 .2558

6
7
8
2
2

2
2
3
1
3

0
0
0
0

2
3
1
4
2

67
68
68
73
75

75
13
32
46
67

1 .2285
1 .1999
1 .1978
1 .1843
1 .1804

1
2
1
3
3

2
2
2
1
3

2
1
2
1
1

0
3
1
4
0

77
79
80
81
81

66
88
05
15
47

1 .1532
1 .1405
1 .1143
1 .0813
1 .0635

1
1L
1L
2
1L

3
2
3
3

1
0
0

1
4
3
2
0

83
84
87
90
92

82
97
46
86
82

1 .0476
1 .0438
1 .0347
1 .0150
.9898

1
1L
1L
1
1

1
4
2
2
4

0
0

5
1
4
3
2

94
95
96
98
102

66
12
22
74
20

.9873
.9783
.9762
.9636
.9607

1
1L
1
1L
1

3
3
3
2
3

0
2
0
2

3
4
0
5
i

102 56
103 .88
104 .20
106 .14
106 .61

.9284
.9181
.9161
.9151
.9089

1L
1L
1
1L
1L

4
3
4
4
2

1
2
0
1.
2

0
2
3
1
4

j 1 ji .13
114 .08
114 46
114 .66
115 .89

}
0
0
0

1
1

1
2

Sodium Aluminum Oxide, p-NaA102

Synonym
Sodium aluminate

CuKaj A. = 1.540598 A; temp 2511 C

Internal standard Si, a = 5 43088 A

GAS registry no.

1302-42-7

d(A)

Sample
The sample was obtained from ICN-K&K
Laboratories, Inc., Plainview, NY. It
was partially hydrated and was heated in
air to 875 C for 1 hour. It changed back
readily to a hydrate.

26( )

hk

a = 1

Color
Colorless
Structure
Orthorhombic, Pna2i (33), Z = 4, isostructural with orthorhombic sodium
ferrite, p-NaFe0 2 . The unit cell and
space group were determined by Thery and
Brian^on [1964].
Lattice constants of this sample
a = 5.3868(11) A
b = 7.0334(15)
c = 5.2182(10)
a/b = 0.7659
c/b = 0.7419
0
Volume
197.70 A3
Density
(calculated) 2.754 g/cm 3
Polymorphism
There is a tetragonal y-form, stable at
high temperatures. The temperature of
transformation p * y is 470 C [ibid.].
Figure of merit
F 30 = 58.6(0.013,39)
Additional pattern
PDF card 19-1177 [ibid.]
Reference
Thery, J. and Brian^on, D. (1964).
Int. Hautes Temp. Refract. !_, 221.

I" 1

Rev.

35
34
4
84
74

0
1
1
2

1
1
1
2
0

0
1
1
0
0

20.72
21.16
26.95
30.31
33.22

2.609
2.564
2.515
2.393
2.267

94
100
7
14
4

0
1
2
2
2

0
2
1
0
1

2
1
0
1
1

34.34
34.96
35.67
37.55
39.72

2.227
2.148
2.139M
2.139M
2.096

5
10
12
2

1
1
0
2
0

1
3
3
2
2

2
0
1
0
2

40.47
42.03
42.21
42.21
43.13

1.987
1.953
1,8740
1.8108
1.7695

8
24
16
3
8

1
1
2
2
2

3
2
0
1
3

1
2
2
2
0

45.62
46.47
48.54
50.35
51.61

1.7578
1.7395
1.6886
1.6741
1.6591

24
4
3
5
4

0
3
0
2
1

4
1
1
3
3

0
0
3
1
2

51.98
52.57
54.28
54.79
55.33

1.6541
1.5989
1.5286
1.4974
1.4722

5
33
8
35
15

2
3
3
1
2

2
2
2
2
4

2
0
1
3
0

55.51
57.60
60.52
61.92
63.10

1.4581
1.4170
1.3971
1.3754
1.3631

22
13
2
3
25

0
2
0
3
3

4
4
3
3
2

2
1
3
1
2

63.78
65.86
66.92
68.12
68.82

1.3039M
1.3039M
1.2823M
1.2823M
1.2475

10

0
4
2
4
1

0
0
4
1
1

4
1
2
1
4

72.42
72.42
73.84
73.84
76.26

2
2

3
1

4
4

1
3

78.18
79.42

1.2217
1.2057

62

4.283
4.195
3.306
2.946
2.695

Sodium Borate, NaB02

Synonym
Sodium metaborate

CuKa

Sample
The sample was prepared by dehydrat Lug
NaB0 2 *4H20 obtained from the Fisher
Scientific Co., Fair Lawn, NJ.
Color
Colorless
Structure
Hexagonal, R3c (167), 2 = 18. The structure
was redetermined by Marezio et al. [1963].
The structure had been determined earlier by
Fang [1937], [1938].
Lattice constants of this sample
a = 11.9217(7) A
c = 6.4182(5)
c/a = 0.5384
Volume
0
789.99 A 3
Density
(calculated) 2.490 g/crn 3
Figure of merit
F 30 = 64.8(0.012,39)
Additional patterns
PDF card 12-383 [Pistorius, Inst. Geophysics,
U. Calif., Los Angeles, CA] labeled anhydrous
but appears to be 41^0.
PDF card 12-492 [Norment et al., I960]
PDF card 16-267 [Bouaziz, 1962]
Coles, Scholes, and Amberg [1937]
References
Bouaziz, R. (1962),
7, 1451.

Bull. Soc. Chim. Fr.

Coles, S. S., Scholes, S. R., and Amberg,

C. R. (1937). J. Amer. Ceram. Soc. 20,
215.
Fang, S. M. (1937).
20, 214.

J. Amer. Ceram. Soc,

d(A)

jrel

hkJ?

26( )

5
3
3
2
2

953
441
063
982
724

3
1L
100
2
76

1
3
0
2
2

1
0
1
2
0

0
0
2
0
2

14
25
29
29
32

87
87
13
94
85

2
2
2
2
2

614
478
253
221
136

73
19
8
54
20

1
1
4
3
3

3
2
1
2
1

1
2
0
1
2

34
36
39
40
42

28
22
98
58
27

2
2
1
1
1

013M
013M
9870
9054
8672

49

1
0
3
2
2

1
4
3
3
4

3
2
0
2
1

45
45
45
47
48

00
00
62
69
73

1
1
]
1
1

7815
7370M
7370M
6674
6527

16
9

i
2
0
2
2

6
3

5
2
5
4
5

3
2
2
0

51
52
52
55
55

24
65
65
03
56

1
1
1
1
1

640S
6053
5854
5509
5318

6
5
5
14L
7

4
1
1
4
0

3
5
0
1
2

i
2
4
3
4

56
57
58
59
60

00
35
14
56
38

1
1
1
1
1

5002
4836
4374
4136
3997

IL
1
4
1L
2

3
2
3
6
1

4
1
5
1
3

2
4
1
2
4

61
62
64
66
66

79
56
81
04
78

1
1
1
1
1

3629
3403
3283
3074
2672

IL
6
IL
i
2

4
0
3
2
0

0
7
2
6
5

4
2
4
2
4

68
70
70
72
74

83
17
89
20
87

T
1

2393
2224M
2224M
2136
1974

2
4
4
5
8

4
4
5
1
0

4
3
2
4
o

76
78
7S
78
80

86
12
12
80
08

1740
1713
1647
1521
3472

5
5
2
3
8

7
3
4
7
9

2
1
6
1
0

2
5
1
3
0

82
82
82
83
84

01
24
81
92
36

1331
1285
.1110
0861
0725

3
2
2
2
1

1
2
6
3
4

8
3
4
5
2

2
5
2
4
5

85
86
87
90
91

85
09
79
35
82

0698

92 11

1
1

1
1
1

Norment, H. G., Henderson, P. I., and South,

R. L. (I960). Anal. Chem. 32, 796.

cr = 2

Marezio, M., Plettinger, H. A. , and Zachariasen t

W. H. (1963). Acta Crystallogr. 16, 594.

2511

Internal standard Si, a = 5 43088 A

Fang, S. M. (1938). Z. Kristallogr.

Kristallgeometrie Kristallphys. Kristallchem.
99A, 1.

o
A = 1.540598 A; temp

i
1
1
1

43
5
23

5
1

Sodium Niobium Oxide (Lueshite), NaNb03

Synonym
Sodium niobate

Vousden, P. (1951).
545.

CAS registry no.

12034-09-2

Wells, M. and Megaw, H. D. (1958).

Crystallogr. 11, 858.

Sample
The sample was obtained from Shieldalloy
Corp., Newfield, NJ. It was annealed at
1275 C for 4 days.

Wood, E. (1951).
353.

Acta Crystallogr. 4,
Acta

Acta Crystallogr. 4,

Wood, E. A., Miller, R. C., and Remeika,

J. P. (1962). Acta Crystallogr. 15, 1273.

Color
Colorless
0

X = 1.540598 A; temp 25 1 C
Internal standard Si, a = 5 .43088 A

CuKa

Structure
Orthorhombic, Pbma (57), 2=8. It has a
distorted perovskite structure which was
refined by Sakowski-Cowley et al. [1969]
after earlier work [Vousden, 1951; Wells
and Megaw, 1958].

d(A)

hk

26( )

a = 2

Lattice constants of this sample

a/b = 0.3587
c/b = 0.3546

1
0
1
1
0

22.71
22.89
23.41
28.57
32.11

1
0
1
2
2

4
0
0
1
3

1
2
2
1
0

32.49
32.49
36.37
36.61
36.61

1
1
1
1
1

1
2
1
0
2

1
2
2
6
4

2
1
2
1
0

36.88
38.00
38.25
38.41
39.81

2.245
2.0930
1.9574
1.9400M
1.9400M

2
1L
25
16

0
2
2
0
2

4
4
0
8
5

2
1
2
0
1

40.13
43.19
46.35
46.79
46.79

1.7857M
1.7857M
1.7591
1.7478M
1.7478M

0
1
3
3
2

2
6
0
1
4

3
2
1
1
2

51.11
51.11
51.94
52.30
52.30

2.754M
2.754M
2.468
2.453M
2.453M

Volume
0
475.84 A3
Density
(calculated) 4.575 g/cm3

2.435
2.366
2.351
2.342
2.263

Polymorphism
NaNb03 becomes tetragonal at about 225 C, and
cubic near 435 C [Wood, 1951]. Wood et al.
[1962] described a field-induced ferroelectric
polymorph which has a cell similar to the
orthorhombic phase except that the is halved.
Bulakh et al. [1962] described a new mineral,
natroniobite, which is principally NaNb03
and presumably monoclinic.
Figure of merit
F30 = 35.1(0.010,82)
Additional patterns
PDF card 14-603 [Wood, E., Bell Telephone Lab.,
Murray Hill, NJ]
PDF card 19-1221 [Parker et al., 1962]
References
Bulakh, A. G., Kukharenko, A. A., Knipovich,
Yu. N., Kondrat'eva, V. V., Baklanova, K. A.,
and Baranova, E. N. (1960). Inform. Sb. Vses.
Nauch. Issled. Geol. Inst. p. 114.
U.S.

Sakowski-Cowley, A. C., Lukaszewicz, K.,

and Megaw, H. D. (1969). Acta Crystallogr.
B25, 851.

64

l
0
1
1

0
4
1
3
0

3.912
3.882
3.797
3.122
2.785

a = 5.5687(5) A
b = 15.523(2)
c = 5.5047(6)

Parker, Adams, and Hildebrand (1962).

Geol. Surv. Prof. Pap. 450C, 4.

irel
89
45
1
1L
24
100
1
1

7
12

1.7432
1.7385
1.6652
1.6593
1.6018

14
16
1
1
11

1
1
3
0
3

0
8
3
4
4

3
1
1
3
1

52.45
52.60
55.11
55.32
57.49

1.5894
1.5780
1.5314M
1.5314M
1.5252M

20
1
1

1
1
2
3
1

4
9
0
1
8

3
1
3
2
2

57.98
58.44
60.40
60.40
60.67

Sodium Niobium Oxide (Lueshite), NaNb03 - (continued)

d(A)

26( )

hk*
a = 2

1.5252M
1.4947
1.3923
1.3779M
1.3779M
1.3745
1.3445M
1.3445M
1.3362
1.3164M
1.3164M
1.3105
1.3032
1.2965M
1.2965M

1L
3
13
8
1L
1L
1L
1
4
5

2 1
0 10
4 0
3 7
2 8

3
1
0
1
2

60.67
62.04
67.18
67.98
67.98

2
4
4
1
1

5
1
3
0
2

3
1
0
4
4

68.17
69.91
69.91
70.41
71.63

2 10
4 4
3 8
0 4
1 8

1
0
1
4
3

71.63
72.00
72.47
72.90
72.90

0
4
3
2
2

73.10
73.10
75.03
76.63
76.92

1.2935M
1.2935M
1.2649
1.2424
1.2385

1L
2
3

0 12
1 3
3 3
4 0
4 1

1.2369
1.2336
1.2283
1.1831
1.1757

3
3
5
1L
1

3 4
2 0
1 12
4 4
2 4

3
4
1
2
4

77.04
77.28
77.68
81.25
81.87

1.1706
1.1311

1
1

0 12
4 8

2
0

82.30
85.85

65

Sodium Nitrosyl Iron Cyanide Hydrate, Na2 (NO)Fe(CN) 5 -2H2 0

Synonyms
Sodium nitroprusside dihydrate
Sodium nitroferricyanide dihydrate
Sodium nitrosylpentacyanoferrate dihydrate.

CuKaj A = 1.540598 A; temp. 25 1

Internal standard Si, a = 5.43088 A

CAS registry no.

13755-38-9

d(A)

jrel
c =

Sample
The sample was obtained from Alfa Products,
Thiokol/Ventron Division, Danvers, MA.
Color
Unground, deep reddish brown
Ground, light yellow pink
Structure
Orthorhombic, Pnmn (58), Z = 4. [Cooke,
1946]. The structure was determined by
Manoharan and Hamilton [1963].
Lattice constants of this sample
a = 11.908(4)A
b = 15.564(4)
c = 6.2031(14)
a/b = 0.7651
c/b = 0.3986
Volume
0
1149.7 A3
Density
(calculated) 1.721 g/cm 3
Figure of merit
F 30 = 36.6(0.012,68)
Additional pattern
PDF card 1-289 [Hanawalt et al., 1938]
References
Cooke, P. W. (1946).

Nature London 157,

Hanawalt, J. D. , Rinn, H. W. , and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed,
H), 457.
Manoharan, P. T. and Hamilton, W. C. (1963).
Inorg. Chem. 2, 1043.

66

26( )

hk
4

7 .79
5 .969
5 .760
5 .507
4 .726

33
4
40
2
83

0
2
0
1
2

2
0
1
0
2

0
0
1
1
0

11. 35
14. 83
15. 37
16. 08
18. 76

4 .492
4.296
4 .139
3 .982
3 .894

10
1
100
12
16

1
2
2
0
0

2
0
1
3
4

1
1
1
1
0

19. 75
20. 66
21. 45
22. 31
22. 82

3 .847
3 .346
3 .311
3 .258
3 .150

3
7
15
12
2

3
3
2
2
3

1
0
3
4
3

0
0

23. 10
26. 62
26. 91
27. 35
28. 31

3 .004
2 ,947
2 .884M
2 .884M
2 .810

9
4
95

1
1
2
0
3

0
1
4
2
3

2
2
1
2
1

29. 72
30. 30
30. 98
30. 98
31. 82

2 .710M
2 .710M
2 .644
2 .593M
2 .593M

19

1
2
4
0
2

5
1
1
6
2

1
2
1
0
2

33. 03
33. 03
33.87
34. 56
34. 56

2
4
4
1
3

1
1
2
2
1

35- 37
35. 37
37. 04
37. 21
37. 72

2
22

1
1

2 ,536M
2 .536M
2 .425
2 .414
2 .383

5
5
20

4
3
0
3
4

2 .346
2 .333
2 .247
2 .147
2 .093

2
2
3
21
1

1
3
2
4
0

6
2
4
0
7

1
2
2
2
1

38. 33
38. 56
40. 10
42. 06
43. 20

2 .033
1 .9714
1 .9455
1 .9384
1 .9195

13
7
12
6
6

4
1
0
2
0

5
2
8
1
3

1
3
0
3
3

44. 53
46. 00
46. 65
46. 83
47. 32

1 .8868
1 .8271
1 .8045
1 .7792
1 .7760

8
1
3
3
4

2
2
1
3
6

6
3
4
6
3

2
3
3
2
1

48. 19
49. 87
50. 54
51. 31
51. 41

1 .7221
1 .6988M
1 .6988M
1 .6878M
1 .6878M

5
5

0
5
4
4
5

5
4
0
1
6

3
2
3
3
1

53. 14
53. 93
53. 93
54. 31
54. 31

31

Sodium Vanadium Oxide, orNaV03

Synonym
Alpha-sodium metavanadate

CuKtfj X = 1.540598 A; temp 25 1 C

Internal standard Ag, a = 4 08651 A

CAS registry no.

11126-25-3

d(A)

Sample
The saoiple was contributed by Riedel-de Hae'n,
Hannover, West Germany. It was labeled
NaV03 *H20.

Structure
Monoclinic, I2/a (15), Z = 8. [Marumo et al.,
1974]. This phase has been reported to be
in space group Cc (9) [Feigelson et al.,
1972].
Lattice constants of this sample
a = 10.333(2) A
9.473(2)
b =
c = 5.880(2)
P = 104.20(2)
a/b = 1.0908
c/b = 0.6207
0
Volume
557.90 A3
Density
(calculated) 2.903 g/cm3
Polymorphism
Beta NaV03 changes irreversibly to a-NaV03 at
about 404 C. [Lukacs and Strusievici, 1962].
Figure of merit
F 30 = 43.2(0.014,48)
Additional patterns
PDF card 20-1168 [Lelong, 1966]
PDF card 27-828 [Feigelson et al., 1972]
PDF card 30-1259 [Kolta et al., 1973]
PDF card 30-1258 [Perraud, 1974]
Lukacs and Strusievici, [1962]
References
Feigelson, R. S., Martin, G. W., and Johnson,
B. C. (1972). J. Cryst. Growth 13-14, 686.
Kolta, G. A., Hewaidy, I. F., Felix, N. S., and
Girgis, N. N. (1973). Thermochim. Acta 6, 165.
Rev. Chim. Miner. 3, 259.

Lukacs, Land Strusievici, C. (1962).

Anorg. Allg. Chem. 315, 323.

Z.

Marumo, F., Isobe, M., and Iwai, S. (1974).

Acta Crystallogr. B30, 1628.
Perraud, J. (1974).

26( )

hk

a = 4

Color
Colorless

Lelong, L. (1966).

I rel

Rev. Chim. Miner. 11, 302.

67

6.87
5.007
4.736
3.931
3.612

2
41
18
3
62

1
2
0
-2
-1

1
0
2
1
2

0
0
0
1
1

12.87
17.70
18.72
22.60
24.63

3.439
3.261
3.179
3.147
3.010

26
100
28
71
2

2
1
2
3
1

2
2
1
1
3

0
1
1
0
0

25.89
27.33
28.05
28.34
29.66

2.848
2.788
2.764
2.680
2.447

14
38
11
33
12

0
-2
0
-3
-4

0
0
3
2
1

2
2
1
1
1

31.39
32.08
32.37
33.41
36.70

2.409
2.367
2.304
2.295
2.251

3
1
6
8
10

-3
0
2
3
2

1
4
3
3
0

2
0
1
0
2

37.30
37.99
39.06
39.22
40.03

2.179
2.150
2,140
2.097
2.060

16
3
4
6
4

-1
-1
2
1
4

4
3
4
4
1

1
2
0
1
1

41.40
41.99
42.19
43.10
43.91

2.033
1.959
1.914
1.863M
1.863M

2
16
4
5

2
5
-3
0
1

2
1
4
1
5

2
0
1
3
0

44.52
46.30
47.47
48.86
48.86

1.8337
1.8220
1.8091
1.7550M
1.7550M

4
5
21
12

-5
0
-1
3
4

1
4
2
4
3

2
2
3
1
1

49.68
50.02
50.40
52.07
52.07

1,7212
1.6924M
1.6924M
1.6699
1.6547

2
1
2
2

4
-6
5
6
-2

4
1
3
0
3

0
1
0
0
3

53.17
54.15
54.15
54.94
55.49

1.6475
1.6245
1.5792
1.5272
1.5108

5
2
2
3
13

3
-6
0
1
-6

5
0
6
5
3

0
2
0
2
1

55.75
56.61
58.39
60.58
61.31

1.5086M
1.5086M
1 . 4602M
1.4602M
1.4151

11

-1
-3
2
5
7

4
5
3
1
1

3
2
3
2
0

61.41
61,41
63.68
63.68
65,96

9
4

Sodium Vanadium Oxide, p-NaV03

Synonym
Beta-sodium metavanadate

CuKOj \ = 1.540598 A; temp. 2511

CAS registry no.

11126-25-3

d(A)

Sample
The sample was prepared from NaV0 3 -H2 0,
which was crystallized from an aqueous
solution, by heating at 300 C for 4 days.

[Perraud, 1974]

Lattice constants of this sample

a = 5.3625(15) A
b = 14.155(6)
c = 3.6499(11)
a/b = 0.3788
c/b = 0.2579
0
Volume
277.06 A3
Density
(calculated) 2.923) g/cm 3
Polymorphism
Beta-NaV03 changes irreversibly to a-NaV0 3 at
about 404 C. [Lukacs and Strusievici, 1962]
Figure of merit
F 28 = 17.8(0.018,88)
Additional patterns
PDF card 1-246 [Hanawalt et al.]> pattern
mislabeled NaV03 -H2 0.
PDF card 27-824 [Perraud, 1974]
PDF card 30-1260 [Feigelson et al., 1972]

References
Feigelson, R. S., Martin, G. W., and Johnson,
B. C. (1972). J. Cryst. Growth 13-14, 686.

11
100
6

3.248
3.019
2.954M
2.954M
2.683

18
13
35

12

2.635
2.541M
2.541M
2.506M
2.506M

2
7

2.

Rev. Chim. Miner. 11,,

68

24

2
1
2
3
4

0
0
0
0
0

12.48
17.68
20.72
25.12
25.12

2
0
4
1
0

1
1
0
1
0

27.44
29.57
30.23
30.23
33.37

2
1
0
2
1

1
3
4
2
5

0
1
1
0
0

34.00
35.29
35.29
35.80
35.80

1
1
1

1
1

2.360
2.333
2.295
2.067
1.965

2
4
5
1
5

0
2
1
2
2

6
3
4
2
3

0
0

1
1
1

38.10
38.56
39.22
43.76
46.17

1.892
1.824
1.771
1.732
1.716

5
6
3
1
5

1
0
2
3
1

7
0
6
2
1

0
2
0
0
2

48.06
49.95
51.56
52.80
53.36

1.679M
1.679M
1.6051
1.5944M
1.5944M

1
1
3
3
2

7
2
0
1
6

1
2
1
1
1

54.62
54.62
57.36
57.78
57.78

1
1
2
1
1

4
9
0
5
9

2
0
2
2
1

59.51
61.39
61.39
62.99
67.08

67.08

1.3942M

Hanawalt, J. D., Rinn, H. W., and Frevel,

L. K. (1938). Ind. Eng. Chem. Anal. Ed.
10, 457.

Perraud, J. (1974).
302.

26( )

hk

7.09
5.01
4.283
3.542M
3.542M

1.5521
1.5090M
1.5090M
1.4745
1.3942M

Lukacs and Strusievici [1962]

Lukacs, I. and Strusievici, C. (1962).

Anorg. Allgem. Chem. 315, 323.

jrel

a = 2

Color
Colorless
Structure
Orthorhombic, 2=4.

Internal standard Si, a = 5. 43088 A

4
7
1
2
3
2

Strontium Iron Oxide, SrFe 120 19

Synonyms
Strontium hexaferrite
Dodecairon strontium 19-oxide

CuKa

\ = 1.540598 A; temp, 251 C

Internal standard Ag, a = 4 .08651 A

CAS registry no.

12023-91-5

d(A)

hk

2e( 0 )

a = 2

Sample
The sample was prepared at NBS from a
stoichiometric mixture of SrCOs and
Fe 2 03 , heated at 1000 C for 1 day, then
at 1200 C for 5 days with periodic grind
ing. It was then held at 1390 C for 8 h
and cooled at 2 per hour to 500 C.

11.49
5,753
4.665
4.249
3.839

Color
Blackish blue
Structure
Hexagonal, P6 3/mmc (194), Z = 2, isostructural with magnetoplumbite, PbFe 120 19 ,
[Adelskold 1938]. Stacking faults seemed
to occur in the 00 direction, without final
annealing of the sample.
Lattice constants of this sample
a = 5.8868(5)A
c = 23.037(2)
c/a = 3.9133
0
Volume
691.38 A3
Density
(calculated) 5.100 g/cm3
Figure of merit
F30 = 53.2(0.011,51)
Additional pattern
PDF card 24-1207 [Smith, Alien Clark Re
search Centre, Plessey Co. Ltd., Towcester,
Northants, U.K.]
Reference
Adelskold, V. (1938).
Geol. 12A, #29, 9.

jrel

Ark. Kemi Mineral.

69

1L
2
6
3
10

002
004
102
103
006

7.69
15.39
19.01
20.89
23.15

3.070
2.945
2.878
2.765
2.621

4
42
21
95
100

106
1 1 0
008
107
1 1 4

29.06
30.33
31.05
32.35
34.18

2.550
2.534
2.508
2.490
2.420

13
14
15
4
47

200
201
108
202
203

35.16
35.40
35.77
36.04
37.12

2.336
2.304
2.232
2.124
2.0159

7
1L
32
21
2

1 1 6
0 0 10
205
206
207

38.50
39.06
40.38
42.52
44.93

1.9376
1.8145
1.8061
1.7962
1.7221

5
2
3
2
2

1 0 11
1 1 10
209
1 0 12
2 1 6

46.85
50.24
50.49
50.79
53.14

1.7090
1.6993
1.6629
1.6454
1.6296

6
8
33
10
22

2 0 10
300
2 1 7
0 0 14
304

53.58
53.91
55.19
55.83
56.42

1.6182
1.6079
1.6015
1.5667
1.5538

48
5
10
1
2

2 0 11
1 1 12
2 1 8
1 0 14
306

56.85
57.25
57.50
58.90
59.44

1.5387
1.5330
1.4715
1.4550
1.4398

1L
6
44
4
2

2 1 9
2 0 12
220
2 0 13
0 0 16

60.08
60.33
63.13
63.93
64.69

1.4264
1.4180
1.3823
1.3743
1.3598

1L
3
12
1
1

224
2 1 11
2 0 14
226
2 1 12

65.37
65.81
67.73
68.18
69.01

Strontium Iron Oxide, SrFe 12 0 19 - (continued)

d(A)

Irel

hkl

26( )

a = 2
1.3100M
1.3100M
1.2990
1.2935
1.2797

6
12
2
1L

2
1
3
1
0

2 8
0 17
1 7
1 16
0 18

72.03
72.03
72.74
73.10
74.02

0 1
0 12
1 8
0 3
0 18

74.52
74.52
74.74
75.57
76.70

0
1
0
1
0

79.12
79.80
80.14
82.03
83.94

1.2723M
1.2723M
1.2691
1.2572
1.2415

4
4
4

4
3
3
4
1

1.2095
1.2009
1.1966
1.1738
1.1519

1L
1L
1L
4
1L

4
2
2
1
0

70

6
15
17
18
20

Thorium Carbide, ThC

Synonym
Thorium monocarbide

GAS registry no.

12012-16-7

d(A)

Sample
The sample was obtained from Alfa Products
Thiokol/Ventron Division, Danvers, MA. It
contained some semi-amorphous carbon and
was somewhat unstable; therefore the
intensities are subject to some error.

I re
a =

Color
Grey
Structure
Cubic, Fm3m (225), 2 = 4. [Wilhelm and
Chiotti, 1950]. ThC has a Nad type
structure.
Lattice constant of this sample
a = 5.3313(7)A
Volume
0
151.53 A3
Density
(calculated) 10.698 g/cm3
Figure of merit
F 10 = 58.1(0.017, 10)
Additional pattern
PDF card 15-36 [Kempter and Krlkonaiij
1962]
References
Kempter, C. P. and Krikorian, N. H. (1962).
J. Less-Common Metals 4, 244.
Wilhelm, H. A., Chiotti, P. (1950).
Amer. Soc. Metals 42, 1295.

A;

temp 25 1 C
a
= 5 .43088 A
Internal standard Si,

CuKofj A = 1.540598

Trans.

71

hk

26( )

3. 075
2. 666
1. 886
1. 6071
1. 5387

100
70
60
70
25

1
2
2
3
2

1
0
2
1
2

1. 3322
1. 2232
i. 1923
1. 0884
1. 0260
__

12
30
30
25
20

4
3
4
4
5

0
3
2
2
1

29
33
48
57
60

01
59
21
28
08

0
1
0
2
1

70
78
80
90
97

65
06
49
1C
32 |

0
0

_1

Thorium Nitrate Hydrate, Th(N03 ) 4 -5H20

Synonym
Thorium nitrate pentanydrate

a = 3

Sample
The sample was obtained from Allied Chemical,
General Chemical Division, New York, NY.
It was labeled Th(N03 ) 4 *4H20.

4
31

1
3
2
2
0

1
3
4
6
6

3
1
2
0
2

26.74
27.92
27.92
28.25
28.81

3.084
3.012
2.862
2.800
2.793

18
10
5
18
17

1
1
0
4
3

3
7
8
0
5

3
1
0
0
1

28.93
29.64
31.23
31.94
32.02

2.714
2.651
2.550M
2.550M
2.516

10
6
11
6

1
0
3
2
4

5
0
1
8
4

3
4
3
0
0

32.98
33.79
35.16
35.16
35.65

2.431
2.419
2.403
2.397
2.347

13
23
22
22
20

3
4
0
3
1

3
2
4
7
7

3
2
4
1
3

36.95
37.14
37.40
37.49
38.32

2.342
2.297
2.239
2.207
2.181

11
14
5
1
12

2
2
3
2
5

2
8
5
4
1

4
2
3
4
1

38.41
39.19
40.24
40.85
41.37

2.119
2.106
2.101
2.073
2.061

8
8
10
12
8

2 10
5 3
0 10
1 1
3 9

0
1
2
5
1

42.64
42.92
43.02
43.63
43.90

2.028
2.007
2.002
1.976
1.943

21
9
10
7
6

2
1
4
5
0

6
3
8
5
8

4
5
0
1
4

44.65
45.13
45.27
45.88
46.70

1.924
1.907
1.895
1.885
1.842

5
2
4
4
6

4 0
0 12
1 5
5 1
6 2

4
0
5
3
0

47.20
47.64
47.98
48.23
49.44

1.837+
1.837+
1.822
1.807M
1.807M

3 1
2 8
5 7
3 9
2 12

5
4
1
3
0

49.58
49.58
50.02
50.47
50.47

1.792M
1.792M
1.771
1.761
1.756

3 11
3 3
1 11
6 0
1 7

1
5
3
2
5

50.93
50.93
51.58
51.89
52.04

12
28

Color
Colorless

3.331
3.193M
3.193M
3.156
3.096

Structure
Orthorhombic, Fdd2 (43), Z = 8, [Staritsky,
1956]. The structure of Th(N03 ) 4 *5H20 was
determined by Taylor et al. [1966] and Ueki
et al. [1966].
Lattice constants of this sample
a = 11.201(2) A
b = 22.896(5)
c = 10.593(2)
a/b = 0.4892
c/b = 0.4627
0
Volume
2716.7 A3
Density
(calculated) 2.788 g/cm3
Figure of merit
F30 = 54.7(0.016,35)
Additional pattern
PDF card 9-36 [Staritsky, 1956]
References
Staritsky, E. (1956).
2021.

Anal. Chem. 28,

Taylor, J. C., Miller, M. H., and Hitterman,

R. L. (1966). Acta Crystallogr. 20, 842.
Ueki, T., Zalkin, A., and Templeton, D. H.
(1966). Acta Crystallogr. 20, 836.
o

CuK 1 A = 1.540598 A; temp . 25 1 C

3 .16524 Ao
Internal standard W, a

d(A)

hk

I rel
a =

28( )

7. 30
5. 73
5. 42
5. 035
4. 810

100
39
58
44
54

1
0
1
2
0

4. 005
3. 938
3. 852
3. 652
3. 482

3
24
7
1
20

2
1
2
2
3

2
2

1
0
1
0
2

12 .11
15 .45
16 .33
17 .60
18 .43

4
5
0
2
1

0
1
2
2
1

22 .18
22 .56
23 .07
24 .35
25 .56

1
4

28()

hk*

d(A)

72

8
4

4
3
4

Titanium Carbide, TIC

CAS registry no.
12070-08-5

o
CuKa.* \ = 1.540598 A; temp. 25 1 C
o

Sample
The sample was obtained from Kennametal,
Latrobe, PA.

Internal standard W, a = 3.16525 A

d(A)

Structure
Cubic, Fm3m (225), Z = 4. The structure of
titanium carbide was qualitatively determined
by von Schwarz and Summa [1932].
Lattice constant of this sample
a = 4.3274(2) A
Volume
o
81.037 A3
Density
(calculated) 4.911 g/cm3
Figure of merit
F 10 = 121.6(0.008,10)
Additional pattern
PDF card 6-614 [Cadoff and Nielsen, 1953]
References
Cadoff, I. and Nielsen, J. P. (1953).
AIME 197, 248.
Schwarz, von, M. and Summa, 0. (1932).
Elektrochem. 38, 743.

I rel

26( )

hk*

a = 3

Color
Dark gray

Trans.
Z.

73

2 .499
2 .1637
1 .5302
1 .3047
1 .2492

78

100
60
30
17

2
2
3
2

1
0
2
1
2

1
0
0
1
2

35 .90
41 .71
60 .45
72 .37
76 .14

1 .0818
.9927
.9677
.8834
.8327

10
13
25
23
16

4
3
4
4
5

0
3
2
2
1

0
1
0
2
1

90 .80
101 .78
105 .50
121 .38
135 .34

Tungsten Oxide, W02

Synonym
Tungsten dioxide

CuKa A = 1.540598 A; temp 25 1 C

Inte rnal standard Si, a = 5 43088 A

GAS registry no.

12036-22-5

d(A)

Sample
The sample was made at NBS by H. S. Parker
by heating W0 3 in a W boat for 20 hours
at 372 C in an atmosphere of 95% N2 and
5% H 2 gas. This was followed by heating
at 590 C for 90 hours under the same
conditions .
Color
Dark brown
Structure
Monoclinic, P2 1 /n
rutile structure.
by Magneli et ai.
Andersson [1955].
cussed by Roger et

(14), 2=4. Distorted

The structure was studied
[1952] and by Magneli and
The structure was dis
al . [1969].

Lattice constants of this sample

a
b
c
p

=
5.5754(7) A
=
4.8995(12)
=
5.5608(9)
= 118.869(12)

a/b = 1.1380
c/b = 1.1350
Vo j ume

Dens ity
(calculated) 10.78 g/cm 3
Figure of merit
F 30 - 28.8(0.016,67)
Additional pattern
PDF card 5-431 [Magneli et al . , Univ. of
Uppsala, Sweden]
References
Magneli, A. and Andersson, G. (1955).
Chem. Scand. 9, 1378.

hk
a -

Act a

Magneli, A., Andersson, G. , Blomberg, B. ,

arid Kihlbcrg, I. (1952). Anal. Chem. 24,
1998.
Roger, D. B., Shannon, R. D., Sleight, A, W.
and Gillson, J. L. (1969). Inorg. Chem. 8,
841,

74

26( )

3
-1
0
1
1
0

30
27
34
17
2

154
853
833
7324M
7324M

1
1
1
1

1
1
1
1
0

18
25
31
36
36

49
79
58
66
66

2
0
-2
-2
2

0
0
1
0
j.

0
2
1
2
0

36
36
37
37
41

77
86
07
48
30

1
2
3
18

-2
1
-3
2
1

1
2
0
1
1

2
1
1
1
2

41
49
49
52
52

91
13
70
80
80

7282
7167
7123H
7123H

31
14
10

2
-3
-2
-]

2
1
2
1

0
1
2
3

52
53
53
53

94
32
47
47

j
I
1
1
1

5987
548 ]H
5 48 In
5448
540-8

1
10
10
10

.Q
)
0
3
0

0
3
3
I
1

3
0
1
0
3

57
59
59
59
59

61
68
68
82
99

1
1
1
1
i

4670
4157
4094
3934
3900

2
3
5
4
5

-3
2
-2
~4
-2

2
0
3
0
0

2
1
2
4

63
65
66
67
67

35
93
26
12
31

1
1
1
1
1

3588
3388
2993
2856
2251 +

1
1
2
3
5

3
-3
-4
-4
2

0
2
1
1
3

1
3
1
3
1

69
70
72
73
77

07
25
72
62
92

1
1
1
1
1

2251+
2171
2140
2109
2087

2
3
3
3

0
0
-2
-4
-2

4
0
3
2
2

0
4
3
2
4

77
78
78
79
79

92
53
77
01
18

1
1
1
1
1

1982
1879M
1879M
1529
1513

-4
1
0
3
0

0
4
4
3
3

4
0
1

80
80
80
83
83

01
85
85
85
99

4
3
2
2
2

795
452
831
449M
449M

1
100
2
20

2
2
2
o
2

442
437
423
398
184

2
1
1
1
1

2
2
2
5

0
1
0

0
3

Uranium Nitride, UN
Synonym
Uranium motion! t ride

CuKa

A; temp . 25 1 C

Internal standard W, a = 3 16524 A

CAS registry no.

25658-43-9

d(A)

Sample
The sample was obtained from the Battelle
Memorial Institute, Columbus, OH.

I rel
o =

Color
Dark gray
Structure
Cubic, Fm3m (225), Z = 4. The structure was
determined by Rundle et al. [1948] and con
firmed by Mueller and Knott [1958].
Lattice constant of this sample
a = 4.8897(2) A
0
Volume
116.91 A3
Density
(calculated) 14.318 g/cm3
Figure of merit
F 13 = 93.2(0.011,13)
Additional patterns
PDF card 11-315 [Mueller and Knott, Argonne
National Laboratory, Lemont, IL]
Kempter et al. [1959]
References
Kempter, C. P., McGuire, J. C., and
Nadler, M. R. (1959). Anal. Chem. 31, 156.
Mueller, M. H. and Knott, H. W. (1958).
Crystallogr. 1J., 751.

X = 1.540598

Acta

Rundle, R. E., Baenziger, N. C., Wilson, A. S.,

and McDonald, R. A., (1948). J. Amer. Chem.
Soc. 70, 98.

75

28( )

hk*
3

2.825
2.445
1.7291
1.4749
1.4119

100
82
52
58
18

1
2
2
3
2

1
0
2
1
2

1
0
0
2

31.65
36.72
52.91
62.97
66.13

1 . 2224
1.1219
1.0935
.9981
.9410

11
22
25
19
22

4
3
4
4
5

0
3
2
2
1

0
1
0
2
1

78.12
86.72
89.57
101.02
109.89

.8644
.8265
.8149

8
26
20

4
5
6

4
3
0

0
1
0

126.04
137.50
141.90

Uranyl Acetate Hydrate, C4 H606U-2H2 0

Synonym
Uranyl acetate dihydrate

a =

GAS registry no.

20154-66-9

Color
Bright greenish yellow

Lattice constants of this sample

a ~ 9.630(2) A
b = 14,883(2)
c = 6.823(2)
a/b = 0.6470
c/b = 0.4584
Volume
977,91 A 3
Density
(calculated) 2.S81 g/cm 3
Figure of merit
F 30 = 38,7(0,016,49)
Additional patterns
PDF card 14-744 [Hanawalt et al., 1938)
PDF card 23-714 [Mentzen and Giorgio, 1970]
References
Amirtha1ingham, V., Chandran, 0. V., and
Padmanabham, V. M. (1959). Acta Crystallogr.
12, 821,
Hanawalt, J. I)., Rinn, H. W. , and Frevel, L. K.
(1938). Ind. Eng, Chem. Anal. Ed. 10, 457.
Mentzen, B, and Giorgio, G. (1970).
Nucl. Chem. 32, 1509.

J. Inorg.

CuKa } A = 1.540598

I rel
a =

8
7
6
5
5

09
44
22
90
221

63
15
94
65
22

4
4
4
3
3

581
462
412
936
S05

100
47
31
60
3

1
0
0
2
2

23.99
25.65
25.76
26.11
28.40

3
1
1
3
3

1
4
2
2
1

0
1
2
0
1

28.40
28.85
30.28
30.28
31.34

2.845
2.737
2.727
2.703
2.698M

7
28
30
31
28

1
2
0
2
1

5
1
5
4
3

0
2
1
1
2

31.42
32.69
32.81
33.12
33.18

2.698M
2.606
2.532
2.510
2.481

1L
21
17
9

3
2
2
3
0

3
2
5
3
6

0
2
0
1
0

33.18
34.39
35.43
35 . 75
36.17

3
4
4
2
4

4
0
1
5
2

0
0
0
1
0

36.96
37.32
37.86
37.86
39.28

6
1
2
4
1

1
1
2
2
3

39.77
40.14
40.42
40.42
41.20

43
22
18
37
13
9
24

2.430
2.408
2.374M
2.374M
2.292

11
38
1L

2.265
2.245
2.230M
2 . 230M
2.189

9
20
10
7

1
4
3
2
1

2.122
2,099
2.076
2.057
2.031

15
11
9
10
13

1
2
1
2
0

2
6
7
0
7

3
1
0
3
1

42.57
43.07
43.56
43.99
44.58

2.020
2.006
1.986
1.980
1.963M

19
10
8
14
14

1
0
1
3
1

3
6
7
4
6

3
2
1
2
2

44.83
45.16
45.65
45.80
46.20

3
5
5
0
3

6
1
2
8
1

0
0
0
0
3

46.20
47.58
48.78
48.92
49.47

1
4
3
2
5

8
5
2
4
3

0
1
3
3
0

49.90
50.54
50.68
50.68
50.79

A; temp 25 1 C
1.963M
1.910
1.865
1.860
1.841

Internal standard Ag, a = 4 08651 A

d(A)

3
4
3
0
1

3.140M
3.092
2.949M
2.949M
2.852

Structure
Orthorhombic, ?na2 1 (33), Z = 4. [Mentzen and
Giorgio, 19701 (Amirthaiingham et al., 1959]

6
1
1
2
0
1

3.706
3.470
3.456
3.410
3.140M

Sample
The sample was obtained from the J. T. Baker
Chemical Co., Phillipsburg, NJ.

26( )

hk*

d(A)

26( )

hk
6

1
0
0
1
i

1
2
1
2
1

0
0
1
0
1

10
11
14
15
16

93
89
22
01
97

2
1
1
2
2

1
2
3
0
1

19
19
20
22
23

36
88
11
57
36

1
0
1
1

1.826
1.804
1 . 800M
1 . 800M
1.796

76

5
1L
4
4
3
14
17
17

Yttrium, Y
CAS registry no.
7440-65-5

CuKa \ = 1.540598 A; temp 25 1 C

Internal standard Ag, a = 4 08651 A

Sample
The sample was obtained from the United
Mineral and Chemical Corp., New York, NY.
The part used was filed off with a file
cleaned by dipping it for 10 seconds in a
nitric acid solution.

d(A)

a = 1

Color
Dark gray
Structure
Hexagonal, Pb 3/mmc (194), Z = 2. The
structure was done by Bommer [1939].
Lattice constants of this sample
a = 3.6471(3) A
c = 5.7285(6)
c/a = 1.5707
0
Volume
65.988 A3
Density
(calculated) 4.474 g/cm3
Figure of merit
F21 = 89.6(0.011,22)
Additional pattern
PDF card 12-702 [U.S. Bureau of Mines,
Albany, OR].
Reference
Bommer, H. (1939).

26( )

hk

I rel

Z. Elektrochem. 45, 357.

77

3 .159
2 .865
2 .765
2 .122
1 .8234

26
25
100
12
14

1
0
1
1
1

0
0
0
0
1

0
2
1
2
0

28 .23
31 .19
32 .35
42 .58
49 .98

1 .6338
1 .5797
1 .5378
1 .5229
1 .4323

12
2
14
11
2

1
2
1
2
0

0
0

3
0
2
1
4

56 .26
58 .37
60 .12
60 .77
65 .07

1 .3831
1 .3041
1 .2171
1 .1937
1 .1685

2
2
3
1
5

2
1
2
2
2

0
0
0

2
4
3
0
1

67 .69
72 .41
78 .53
80 .38
82 .48

1 .1262
1 .1019
1 .0770
1 .0610
1 .0529

3
1
2
1
1

1
2
1
2
3

1
0
0
0

4
2
5
4
0

86 .31
88 .70
91 .32
93 .10
94 .04

1 .0121

99 .12

1
0
0

1
1

Zinc Acetate Hydrate, C4 H604 Zn-2H20

Synonym
Zinc acetate dihydrate

= 1.540598 A; temp. 2511

CAS registry no.

5970-45-6

d(A)

Sample
The sample was obtained from J. T. Baker
Chemical Co., Phillipsburg, NJ.

= 1.49, N

= 1.490, N
P

Lattice constants of this sample

= 14.431(5) A
= 5.340(3)
= 10.981(4)
= 99.88(3)

a/b = 2.7024
c/b = 2.0564
Volume 0
833.6 A3
Density
(calculated) 1.749 g/cm3
Figure of merit
F30 = 28.4(0.014,74)
Additional pattern
PDF card 14-902 [Whitney and Corvin, 1949]
Mislabeled Zn(C2H 30 2 )-2H20
References
Van Niekerk, J. N., Schoening, F. R. L., and
Talbot, J. H. (1953). Acta Crystallogr. 6,
720.
Whitney, J. and Corvin, I. (1949).
21, 645.

20( )

7.10
5.411
5.004
4.714
4.645

100
2
3
8
9

2
0
1
-2
-1

0
0
1
0
1

0
2
0
2
1

12.46
16.37
17.71
18.81
19.09

4.436
3.987
3.789
3.545
3.245

23
21
10
23
20

1
2
-1
3
3

1
0
1
1
1

1
2
2
0
1

20.00
22.28
23.46
25.10
27.46

3.158
2.846
2.805
2.688
2.509

7
3
1
4
2

-3
1
3
-2
5

1
1
1
0

2
3
2
4
0

28.24
31.41
31.88
33.30
35.76

2.421
2.403
2.366
2.296
2.223

4
3
4
2
1

-5
2
5
-3
-5

1
2
1
1
1

2
1
1
4
3

37.10
37.39
38.00
39.21
40.54

2.155
2.137
2.054
2.030
1.997M

4
3
4
11
4

5
-4
4
-1
2

1
2
2
1
2

2
1
1
5
3

41.89
42.25
44.06
44.59
45.38

1.997M
1.961
1.924
1.8203
1.8038M

2
2
1

-5
-3
-7
7
-7

1
1
1
1
1

4
5
1
1
3

45.38
46.26
47.20
50.07
50.56

0
2
4
6

0
2
2
2

6
4
3
1

50.56
51.20
51.91
53.43

= 1.556.
*

Structure
Monoclinic, C2/c (15), 2=4. [Whitney and
Corvin, 1949]. The structure was determined
by Van Niekerk et al. [1953].

a
b
c
p

hidI
a =

Color
Colorless
Optical data
Biaxial (+), N
2V is large

o
Internal standard W, a = 3.16524 A

1.8038M
1.7827
1.7600
1.7135

Anal. Chem.

78

1
1

Zirconium Fluoride, ZrF4

Synonym
Zirconium tetrafluoride

CuKa 1 X = 1.540598 A; temp 25 1 C

Internal standard Ag, a = 4 .08651 A

GAS registry no.

7783-64-4

d(A)

Sample
The sample was from Alfa Products, Thiokol/
Ventron Division, Danvers, MA. It was heated
to 300 C for 3 days to dehydrate a small
amount of the hydrate which was present.

I^ 1
a =

6.88
6.083
4.971
4.762
3.889

Color
Colorless
Structure
Monoclinic, I2/a (15), Z = 12 [Schulze,
1934, Zachariasen, 1949]. The structure was
determined by Burbank and Bensey [1956].
Lattice constants of this sample
a = 9.5585(13) A
b = 9.9512(13)
c = 7.7071(14)
0 = 94.520(1)
a/b = 0.9605
c/b - 0.7745
Volume
0
730.81 A 3
Density
(calculated) 4.559 g/cm3
Polymorphism
Gaudreau [1965] prepared two other forms of
ZrF4 by heating (NH4 ) 3 ZrF 7 under various con
ditions. These forms were called alpha and
gamma. Gaudreau called the form reported in
the present work beta.
Figure of merit
F30 = 74.9(0.010,40)
Additional patterns
PDF card 17-926 [Burbank and Bensey, 1956]
Amirthalirgam and Muralidharan [1964]

18
12
3
15
94

Brunton, G, (1965).
1173.

l
0
2
-1

1
1
2
0
2

0
1
0
0

1
1

12.86
14.55
17.83
18.62
22.85

100
12
55
99

-2
0
2
2
-1

1
0
1
2
1

2
1
0
2

22.93
23.13
24.43
25.87
25.87

3.276
3.133
3.112
3.043M
3 . 043M

36
7
17
38

1
1
-2
0
0

1
3
0
3
2

2
0
2
1
2

27.20
28.47
28.66
29.33
29.33

3.025
2.638
2.582
2.530
2.494

25
1L
3
2
5

3
-2
-3
2
2

1
2
2
3
2

0
2
1
1
2

29.50
33.95
34.71
35.45
35.98

2.479M
2.479M
2.470
2.461
2.382

0
3
-3
-1
4

1
2
1
3
0

3
1
2
2
0

36.21
36.21
36.35
36.48
37.74

4
1
3
4
1

1
2
0
1
3

38.96
39.24
39.24
39.42
39.64

3
2
2

2.310
2.294M
2 . 294M
2.284
2.272

1L
1L

-1
3
3
1
-2

2.267
2.251
2.205
2.1722
2.1344

1L
1L
1
1
2

-4
-1
2
4
2

1
2
4
1
1

1
3
0
1
3

39.73
40.02
40.90
41.54
42.31

1
1L

2.0994
2.0883
2.0266
2.0218
1.9566

1
1
3
4
13

-4
0
0
-3
4

0
4
3
3
0

2
2
3
2
2

43.05
43.29
44.68
44.79
46.37

1.9482
1.9423
1.9349
1.9264
1.9199M

8
8
16
12
34

1
-2
-4
0
0

5
4
2
5
0

0
2
2
1
4

46.58
46.73
46.92
47.14
47.31

J. Inorg. Nucl. Chem. 27_,

Burbank, R. D. and Bensey, F. N. (1956).

Report K1280.
Gaudreau, B. (1965).

26( )

3.875
3.842
3.641
3.441M
3.441M

Brunton [1965]
References
Amirthalirgam, V. and Muralidharan, K. V.
(1964). J. Inorg. Nucl. Chem. 26, 2038.

hkl
3

AEC

Rev. Chim. Miner. 2, 1.

Schulze, G. E. R. (1934). Z. Kristallogr.

Kristallgeometrie Kristallphys. Kristallchem. 89, 477.
Zachariasen, W. H. (1949).
2, 388.

Acta Crystallogr.

79

Zirconium Fluoride, ZrF4 - (continued)

hk*

d(A)
a =

1 .9199M
1 .9085
1 .8824
1 .8715
1 .8483

29
5
14
21

1 .8316
1 .8258
1 .7919M
1 .7919M
1 .7873

12
10
41

1 .7740
1 .7625
1 .7484
1 .7367M
1 .7367M

18
7
20
16

2 BO

26

-3
-2
2
5
4

4
3
4
1
3

1
3
2
0
1

47 .31
47 .61
48 .31
48 .61
49 .26

-2
2
3
0
-4

0
3
2
2
1

4
3
3
4
3

49 .74
49 .91
50 .92
50 .92
51 .06

2
-5
-1
1
-5

5
2
5
4
1

1
1
2
3
2

51 .47
51 .83
52 .28
52 .66
52 .66

1 .7206
1 .7064
1 .6872
1 .6801
1 .6588

2
5
1L
6
4

4
5
3
-3
0

4
2
5
1
6

0
1
0
4
0

53 .19
53 .67
54 .33
54 .58
55 .34

1 .6527

55 .56

80

Zirconium Oxide Chloride Hydrate, ZrOCl 2 -8H20

Synonym
Zirconium oxychloride octahydrate

d(A)

Color
Colorless
Structure
Tetragonal, P42jc (114), Z = 8. [Clearfield
and Vaughan, 1956]. The structure was refined
by Mak [1968].
Lattice constants of this sample
a = 17.094(3) A
c = 7.713(2)
c/a = 0.4512
Volume
2253.8
Density
(calculated) 1.899 g/cm3
Figure of merit
F30 = 35.2(0.015,58)
Reference intensity
= 1.22(12)
,
I/I corundum
Additional pattern
PDF card 21-1499 [Dept. of Physics, University
College, Cardiff, Wales]
References
Clearfield, A. and Vaughan, P. A. (1956).
Acta Crystallogr. 9, 555.
Can. J. Chem. 46, 3491.

A = 1.540598 A temp 25 1 C
Internal standard Ag > a = 4 .08651 A

CuKa

d(A)

I rel

hk

26( )

a = 4
12.10
8.53
7.66
7.03
6.05
5.417
4.739
4.429
4.141
4.028

100
15
4
65
10

1
2
2
1
2

1
0
1
0
2

0
0
0
1
0

7.30
10.36
11.55
12.58
14.63

11
1
7
8
52

3
3
3
4
3

1
2
1
1
3

0
0

16.35
18.71
20.03
21.44
22.05

1
0
0

29()

hk

a = 4

Sample
The sample was made by slow evaporation at
room temperature of an aqueous solution of
ZrOCl 2 .

Mak, T. C. W. (1968).

I rcl

81

3.857
3.828
3.679
3 . 423M
3.423M

14
12
17
27

0
4
1
4
4

0
2
1
2
3

2
0
2
1
0

23.04
23.22
24.17
26.01
26.01

3.356
3.192
3.173
3.126
3.021

4
10
21
43
11

5
3
5
4
4

1
0
2
3
4

0
2
0
1
0

26.54
27.93
28.10
28.53
29.54

2.936
2.848
2.810
2.740
2.672M

10
9
3
10
1

5
6
6
5
6

2
0
1
3
0

1
0
0

30.42
31.39
31.82
32.65
33.51

2.672M
2.641
2.558
2.547
2.525

2
7
5
5

5
6
4
6
5

4
1
3
3
4

0
2
0
1

33.51
33.91
35.05
35.21
35.53

2
3
1
4
0

2
1
0
2
3

36.64
37.14
37.14
37.80
38.36

2.451
2.419M
2.419M
2.378
2.345

5
5

5
6
7
4
3

2.327
2.321
2.291
2.267
2.259

7
8
4
9
13

7
3
6
6
3

0
1
0
4
2

1
3
2
1
3

38.66
38.76
39.30
39.73
39.88

2
3
0
5
3

1
0
3
0
1

40.13
40.13
40.90
41.21
41.88

4
3

2.245M
2.245M
2.205
2.189
2.155

5
6
2

7
7
4
6
7

2.133
2.124
2.119
2.053
2.047

10
12
12
13
16

4
6
7
4
5

2
3
4
3
5

3
2
0
3
2

42.34
42.52
42.63
44.07
44.20

2.014
2.007
2.000
1.987
1.933

2
6
6
5
9

6
7
8
7
5

6
2
3
5
3

0
2
0
0
3

44.98
45.14
45.30
45.62
46.98

1.925
1.854
1.834
1.811

8
8
3
8

7
7
9
8

5
6
1
5

1
0
1
0

47.17
49.10
49.66
50.34

CUMULATIVE INDEX TO CIRCULAR 539, VOLUMES 1-10 and MONOGRAPH 25, SECTIONS 1-18, inclusive.
INORGANIC NAMES
Vol. or
Sec. Page
Aluminum, Al ........................
1
Aluminum antimony, AlSb .............
4
Aluminum bismuth oxide, Al 4 Bi 2 Og .... llm
Aluminum borate, A1 1 3B 40 33 .......... 17m
Aluminum chloride, A1C1 3 ............
9m
Aluminum chloride hydrate
(chloraluminite), A1C1 3 *6H2 0 .......
7
Aluminum copper, Al 4 Cu 9 ............. llm
Aluminum fluoride hydroxide silicate,
topaz, Al2 (F,OH) 2 Si0 4 ..............
1m
Aluminum iron, AIFe ................. 18m
Aluminum iron antimony oxide, bahianite,

Vol. or
Sec. Page

11
72
5
5
61

Ammonium aluminum fluoride,

(NH4 ) 3A1F6 .........................
9m
Ammonium aluminum selenate hydrate,
NH4Al(Se04 ) 2 -12H20 ...............
9m
Ammonium aluminum sulfate,
NH4A1(S04 ) 2 ......................
10m
Ammonium aluminum sulfate hydrate
(tschermigite), NH4A1(SQ 4 ) 2 -12H2 0
6
Ammonium azide, NH 4N 3 .............
9
Ammonium beryllium fluoride,
(NH4 ) 2BeF4 .......................
3m
Ammonium borate hydrate,
NH 4B50g-4H2 0 .....................
17m
Ammonium boron fluoride, NH4 BF 4 ...
3m
Ammonium bromide, NH4Br ...........
2
Ammonium cadmium bromide, (NH4 ) 4 CdBr 6 15m
Ammonium cadmium chloride, NH4 CdCl 3
5m
Ammonium cadmium sulfate,
(NH4 ) 2 Cd 2 (S0 4 ) 3 ..................
7m
Ammonium cadmium sulfate hydrate,
(NH4 ) 2 Cd(S04 ) 2 -6H2 0 ..............
8m
Ammonium calcium sulfate,
(NH4 ) 2 Ca 2 (S04 ) 3 ..................
8m
Ammonium cerium nitrate,
(NH4 ) 2 Ce(N0 3 ) 6 ...................
18m
Ammonium chlorate, NH4 C104
(orthorhombic) ...................
7
Ammonium chloride (salammoniac),
NH4 C1 ............................
1
Ammonium chromium sulfate hydrate,
NH4 Cr(S04 ) 2 -12H20 ................
6
Ammonium cobalt (II) chloride,
NH4 CoCl 3 .........................
6m
Ammonium cobalt fluoride, NH4 CoF 3
8m
Ammonium copper bromide hydrate,
(NH 4 ) 2 CuBr4 -2H2 0 .................
10m
Ammonium copper chloride, NH4 CuCl 3
7m
Ammonium copper chloride hydrate,
(NH4 ) 2 CuCl 4 -2H 2 0 .................
12m
Ammonium copper fluoride, NH4 CuF 3
llm
Ammonium gallium sulfate hydrate,
NH4 Ga(S04 ) 2 *12H2 0 ................
6
Ammonium germanium fluoride,
(NH4 ) 2GeF6 .......................
6
Ammonium hydrogen arsenate,
NH4H2 As0 4 .......................
16m
Ammonium hydrogen carbonate
(teschemacherite), (NH4 )HC0 3 .....
9
Ammonium hydrogen phosphate,
NH 4H2 P0 4 .........................
4
Ammonium iodate, NH4 I0 3 ...........
10m
Ammonium iodide, NH4 I .............
4
Ammonium iridium chloride,
(NH4 ) 2 IrCl 6 ......................
8
Ammonium iron chloride hydrate,
(NH4 ) 2FeCl 5 -H 20 ..................
14m
Ammonium iron fluoride, (NH4 ) 3FeF0
9m
Ammonium iron sulfate, NH4Fe(S04 ) 2
10m
Ammonium iron sulfate hydrate,
NH4Fe(S04 ) 2 -12H20 ................
6
Ammonium lead chloride, (NH4 ) 2PbCl 6
llm
Ammonium magnesium aluminum fluoride,
NH4MgAlF6 ........................
10m

3
79
4
5

Als.66^0.09^2 .9sOi6 ..............

16m

Aluminum iron oxide, AlFe03 .........

Aluminum lithium, Al 4Li 9 ............
Aluminum nickel, AINi ...............
Aluminum nitride, A1N ...............
Aluminum nitrate hydrate,
A1(N03 ) 3 -9H2 0 ......................
Aluminum oxide (corundum), 0?-A1 2 0 3 . .
Aluminum oxide hydrate (boehmite),
a-A! 2 03 -H 2 0 ........................
Aluminum oxide hydrate, diaspore,
P-A1 2 03 -H 2 0 ........................
Aluminum phosphate, A1(P0 3 ) 3 ........
Aluminum phosphate (berlinite),
A1P04 (trigonal) ...................
Aluminum phosphate, A1P04
(orthorhombic) .....................
Aluminum plutonium, Al 3Pu ...........
Aluminum rhenium, AIRe ..............
Aluminum rhenium, Al 12Re ............
Aluminum rhodium, AlRh ..............
Aluminum ruthenium, AlRu ............
Aluminum ruthenium, AlgRu ...........
Aluminum samarium, AlSm2 ............
Aluminum samarium, AlSm3 ............
Aluminum samarium, Al 2 Sm ............
Aluminum samarium, Al 3 Sm ............
Aluminum silicate (mullite),
AlgSi 20 13 ..........................
Aluminum sulfate, A1 2 (S0 4 ) 3 .........
Aluminum technetium, Al 6 Tc ..........
Aluminum terbium, Al 2 Tb .............
Aluminum terbium, Al 2 Tb 3 ............
Aluminum thorium uranium, AlgThU ....
Aluminum tungsten, AlsW, 6-phase ....
Aluminum tungsten oxide, A1 2 (W04 ) 3 ..
Aluminum vanadium, AljoV ............
Aluminum vanadium, Alxo^sV .........
Aluminum vanadium, A1 23V 4 ...........
Aluminum vanadium, A1 4 5V 7 , a'-phase .
Aluminum ytterbium, Al 2 Yb ...........
Aluminum yttrium, A1 3Y ..............

15m
10m
6m
12m

87
7
98
82
5

llm
9

6
3

38

3
2m

41
3

10
10
15m
15m
15m
15m
15m
15m
15m
15m
15m
15m

4
77
79
80
82
83
84
86
88
90
91

3m
15m
15m
15m
15m
15m
15m
llm
15m
15m
15m
15m
15m
15m

3
8
93
95
96
98
100
7
102
104
106
108
111
112

Further work on this program is in progress,

and it is anticipated that additional sections
will be issued. Therefore, the cumulative index
here is not necessarily the concluding index
for the project.
m - Monograph 25.
A mineral name in ( ) indicates a synthetic
sample.

82

5
6
5
3
4
5
7
6
49
9
6
5
5
7
6
6
59
7
5
9
6
7
6
8
9
8
9
5
64
7
56
6
7
9
8
10
10
9

Vol. or
Sec. Page
Ammonium magnesium chromium oxide
hydrate, (NH4 ) 2Mg(Cr04 ) 2 -6H20 ....
Ammonium magnesium phosphate hydrate
(struvite), NH4MgP0 4 -6H20 ........
Ammonium manganese chloride hydrate,
(NH4 ) 2MnCl 4 -2H20 .................
Ammonium manganese(II) fluoride,
NH4MnF 3 ..........................
Ammonium manganese sulfate,
(NH4 ) 2Mn2 (S0 4 ) 3 ..................
Ammonium manganese sulfate hydrate,
(NH4 ) 2Mn(S0 4 ) 2 -6H20 ..............
Ammonium mercury chloride, NH4HgCl 3
Ammonium molybdenum oxide phosphate
hydrate, (NH4 ) 3 (Mo03 ) 12P04 -4H2 0 . .
Ammonium nickel(II) chloride,
NH4NiCl 3 .........................
Ammonium nickel chromium oxide
hydrate, (NH4 ) 2Ni(Cr04 ) 2 -6H2 0 ....
Ammonium nickel sulfate hydrate,
(NH4 ) 2Ni(S0 4 ) 2 -6H2 0 ..............
Ammonium nitrate (nitrammite),
NH4N0 3 ...........................
Ammonium osmium bromide, (NH4 ) 2 OsBr 6
Ammonium osmium chloride,
(NH4 ) 2OsCl 6 ......................
Ammonium palladium chloride,
(NH4 ) 2PdCl 4 ......................
Ammonium palladium chloride,
(NH4 ) 2PdCl 6 ......................
Ammonium platinum bromide,
(NH4 ) 2PtBr 6 ......................
Ammonium platinum chloride,
(NH4 ) 2PtCl 6 ......................
Ammonium potassium iron chloride
hydrate (kremersite),
(NH4 ,K) 2FeCls'H20 ................
Ammonium rhenium oxide, NH4Re04 ...
Ammonium selenium bromide,
(NH4 ) 2SeBr 6 ......................
Ammonium silicon fluoride
(cryptohalite), (NH4 ) 2SiF6 .......
Ammonium strontium chromium oxide,
(NH 4 ) 2Sr(Cr04 ) 2 ..................
Ammonium strontium sulfate,
(NH4 ) 2 Sr(S04 ) 2 ...................
Ammonium sulfate (mascagnite),
(NH4 ) 2S04 ........................
Ammonium sulfate, (NH4 ) 2 S 2 03 ......
Ammonium sulfate, (NH4 ) 2 S 20 8 ......
Ammonium tellurium bromide,
(NH4 ) 2TeBr6 .....................
Ammonium tellurium chloride,
(NH4 ) 2TeCl 6 ......................
Ammonium tin chloride, (NH4 ) 2 SnCl 6
Ammonium tin fluoride, NH4SnF 3 ....
Ammonium titanium fluoride,
(NH4 ) 2TiF6 .......................
Ammonium vanadium oxide, NH4V03 ...
Ammonium zinc chloride, (NH4 ) 3ZnCl 5
Ammonium zinc fluoride, NH4ZnF3 ...
Ammonium zirconium fluoride,
(NH4 ) 3ZrF 7 .......................
Antimony cobalt, CoSb .............

8m

10

3m

41

llm

11

5m

7m

8m
8m

12
14

10

6m

8m

16

17m

7
3

4
71

1m

14m
9

8
7

14m

15m

11

9
17m
17m

8
11
13

8
5
18m

8
4
8

16m
8
15m
8m

10
9
12
18

6
15m

14
121

Vol. or
Sec. Page
Antimony cobalt , CoSb 2 ............
15m
Antimony cobalt, CoSb 2 ............
15m
Antimony cobalt titanium, CoSbTi ..
15m
Antimony cobalt vanadium, CoSbV . . .
15m
Antimony dysprosium, 'DySb .........
4m
Antimony erbium, ErSb .............
4m
Antimony (III) fluoride, SbF 3 ......
2m
Antimony gadolinium, GdSb .........
4m
Antimony gallium, GaSb ............
6
Antimony gold (aurostibite) , AuSb 2
7
Antimony indium, InSb .............
4
Antimony (III) iodide, SbI 3 ........
6
Antimony iron titanium oxide
hydroxide, derbylite,
SbFe 4Ti 30 13 (OH) ..................
16m
Antimony lanthanum, LaSb ..........
4m
Antimony neodymium, NdSb ..........
4m
Antimony(III) oxide (senarmontite) ,
Sb203 (cubic) ....................
Antimony (III) oxide, valentinite,
Sb 203 (ortho rhombic) .............
10
Antimony(IV) oxide (cervantite) ,
Sb 204 ............................
10
Antimony oxide, Sbg0 13 ............
16m
Antimony praseodymium, PrSb .......
4m
Antimony scandium, SbSc ...........
4m
Antimony selenide, Sb 2 Se 3 .........
3m
Antimony silver sulfide, AgSbS 2
(cubic) .........................
5m
Antimony silver sulfide (miargyrite) ,
AgSbS 2 (monoclinic) .............
5m
Antimony silver sulfide (pyrargyrite) ,
Ag 3 SbS 3 (trigonal) ..............
5m
Antimony silver telluride, AgSbTe2
3m
Antimony(III) sulfide (stibnite),
Sb 2 S 3 ............................
5
Antimony telluride, Sb 2Te 3 ........
3m
Antimony terbium, SbTb ............
5m
Antimony thorium, SbTh ............
4m
Antimony thulium, SbTm ............
4m
Antimony tin, SbSn ................
16m
Antimony ytterbium, SbYb ..........
4m
Antimony yttrium, SbY .............
4m
Arsenic , As .......................
3
Arsenic bromide , AsBr 3 ............
18m
Arsenic cerium, AsCe ..............
4m
Arsenic(III) iodide, AsI 3 .........
13m
Arsenic oxide (arsenolite),
As 203 (cubic) ....................
Arsenic oxide, claudetite, As 203
(monoclinic) .....................
3m
Barium , Ba ........................
4
Barium aluminum oxide, BaAl 20 4 ....
5m
Barium aluminum oxide, Ba 3Al 2Oe ...
12m
Barium aluminum titanium oxide,
Ba l.
. 46Ti 5.
18m
Barium arsenate, Ba 3 (As04 ) 2 ......
2m
Barium borate, BaB 407 ............
4m
Barium borate, high form, BaB2 04 .
4m
Barium borate, BaBgOjs ...........
7m
Barium bromate hydrate,
Ba(Br0 3 ) 2 -H20 ...................
8m
Barium bromide, BaBr 2 ............
10m
Barium bromide fluoride, BaBrF ...
10m
Barium bromide hydrate, BaBr2 *H20
3m

83

122
122
124
125
41
41
4
42
30
18
73
16
89
42
43
31
6
8
14
43
44
7
48
49
51
47
6
8
61
44
45
15
45
46
6
9
51
7
51
9
7
11
7
10
6
6
4
10
19
63
10
10

Vol. or
Sec. Page

Vol. or
Sec. Page
Barium bromide hydrate, BaBr 2 '2H20
Barium cadmium chloride hydrate,
BaCdCl 4 *4H20 ....................
Barium calcium nitrate,
Ba. 25Ca. 75 (N03 ) 2 .................
Barium calcium nitrate,
Barium calcium nitrate,
Ba. 75Ca. 25 (N03 ) 2 .................
Barium calcium tungsten oxide,
Ba 2 CaW06 .........................
Barium carbonate (witherite), BaC0 3
(or tho rhombic) ...................
Barium garbonate, BaC0 3 (cubic)
at 1075 C .......................
Barium chlorate, Ba(C10 3 ) 2 ........
Barium chlorate hydrate,
Ba(C103 ) 2 *H20 ....................
Barium chlorate hydrate,
Ba(C104 ) 2 -3H20 ...................
Barium chloride, BaCl 2 , (cubic) ...
Barium chloride, BaCl 2 ,
(orthorhombic) ...................
Barium chloride fluoride, BaCIF ...
Barium chloride hydrate, BaCl 2 *2H20
Barium chromium oxide,
Ba 3 (Cr04 ) 2 .......................
Barium fluoride , BaF 2 .............
Barium hydroxide phosphate,
Ba 5 (OH)(P0 4 ) 3 ....................
Barium iodide, BaI 2 ...............
Barium iodide hydrate, BaI 2 *2H20 ..
Barium lead chloride, BaPbCl 4 .....
Barium lead nitrate,
Barium lead nitrate,
Ba. 67 Pb. 33 (N03 ) 2 .................
Barium manganese oxide, BaMn0 4 ....
Barium manganese oxide,
Ba(Mn04 ) 2 ........................
Barium molybdenum oxide, BaMo04 . . .
Barium molybdenum oxide, Ba 2Mo0 5 . .
Barium neodymiura titanium oxide,
BaNd2 Ti 30 10 ......................
Barium nitrate (nitrobarite) ,
Ba(N03 ) 2 .........................
Barium nitrite hydrate,
Ba(N0 2 ) 2 *H2 0 .....................
Barium oxide , BaO .................
Barium oxide , Ba02 ................
Barium phosphate, Ba 2 P2 0 7 ,
(high form) ......................
Barium phosphate, Ba 3 (P0 4 ) 2 .......
Barium selenide, BaSe .............
Barium silicate, p-BaSi03 .........
Barium silicate (sanbornite) ,
p-BaSi 2 0 5 ........................
Barium silicate, Ba 2 Si0 4 ..........
Barium silicate, Ba 2 Si 3Og .........
Barium silicate, Ba 3Si0 5 ..........
Barium silicate, Ba 3Si 50 13 ........
Barium silicon fluoride, BaSiF6 . . .
Barium strontium nitrate,
Ba. 25Sr. 75 (N03 ) 2 .................
Barium strontium nitrate,

16m

16

Barium strontium nitrate,

15m

14

12m

38

12m

38

12m

38

9m

10

54

10
16m

11
17

8m

21

2m
9m

7
13

9m
10m
12m

11
11
9

Barium sulfate (baryte), BaS04 ....

Barium sulfide, BaS ...............
Barium thiosulfate hydrate,
BaS203 -H20 .......................
Barium tin oxide, BaSn03 ..........
Barium titanium oxide, BaTi03 .....
Barium titanium silicate (fresnoite),
Ba 2TiSi 2Og .......................
Barium tungsten oxide, BaW04 ......
Barium tungsten oxide, Ba 2WO s .....
Barium vanadium oxide, Ba 3 (V04 ) 2 ..
Barium zirconium oxide, BaZr03 ....
Beryllium, alpha, Be ..............
Beryllium aluminum oxide
(chrysoberyl), BeAl 204 ...........
Beryllium aluminum silicate, beryl,
Be 3Al 2 (Si03 ) 6 ....................
Beryllium calcium iron magnesium
aluminum phosphate hydroxide
hydrate, roscherite (monoclinic),
Be2 Ca(Fe. 3Mg -7 ) 2Al. 67 (P04 ) 3 (OH) 3 -2H20
Beryllium calcium manganese
aluminum iron phosphate hydroxide
hydrate, roscherite (triclinic),

15m
1

16
70

llm
10m
16m
llm

12
66
18
13

12m

40

12m
18m

40
11

15m
7
12m

17
7
10

18m

12

llm

14

15m
9m
6

18
63
18

16m
12m
5m
13m

19
12
61
8

13m
13m
13m
13m
13m
4m

10
12
13
15
17
7

12m

42

12m

42

Ma.i2)(P04 ) 6 (OH) 4 -6H20 ...........

Beryllium calcium oxide,
Be 17 Ca 12029 ......................
Beryllium chromium oxide, BeCr204
Beryllium cobalt, BeCo ............
Beryllium germanium oxide, Be 2 Ge04
Beryllium lanthanum oxide, Be 2La 20 5
Beryllium niobium, Be 2Kb ..........
Beryllium nitride, Be 3N2 ..........
Beryllium oxide (bromellite), BeO
Beryllium palladium, BePd .........
Beryllium silicate, phenakite,
Be 2 Si04 ..........................
Beryllium sulfate, BeS04 ..........
Bismuth, Bi .......................
Bismuth bromide oxide, BiOBr ......
Bismuth cerium, BiCe ..............
Bismuth chloride oxide (Msmoclite),
BiOCl ............................
Bismuth dysprosium, BiDy ..........
Bismuth erbium, BiEr ..............
Bismuth fluoride, BiF3 ............
Bismuth holmium, BiHo .............
Bismuth(III) iodide, BiI 3 .........
Bismuth iodide oxide, BiOl ........
Bismuth lanthanum, BiLa ...........
Bismuth neodymium, BiNd ...........
Bismuth oxide (bismite), a-Bi 203 ..
Bismuth phosphate, BiP04
(monoclinic) .....................
Bismuth phosphate, BiP04 (trigonal)
Bismuth praseodymium, BiPr ........
Bismuth selenide (paraguanajuatite),
Bi 2 Se 3 ...........................
Bismuth sulfide (bismuthinite),
Bi 2S 3 ............................
Bismuth telluride, BiTe ...........
Bismuth telluride (tellurobismuthite), Bi 2Te 3 .................

84

12m
10m
7

42
12
8

16m
3m
3

20
11
45

9m
7
12m
14m
5
9m

14
9
14
10
8
64

10

13

16m

96

16m

100

7m
10
5m
10
9m
7m
18m
1
5m

89
12
62
13
65
92
15
36
62

8
15m
3
8
4m

11
20
20
14
46

4
4m
4m
1m
4m
6
9
4m
4m
3m

54
47
47
7
48
20
16
48
49
17

3m
3m
4m

11
13
49

18m

16

5m
4m

13
50

3m

16

Vol. or
Sec. Page

Vol. or
Sec. Page
Bismuth vanadium oxide, high form,
BiV04 (monoclinic) ...............
Bismuth vanadium oxide, low form,
BiV04 (tetragonal) ...............
Boron oxide, B2 03 , phase 1 ........
Cadmium, Cd .......................
Cadmium ammine chloride,
Cd(NH3 ) 2 Cl 2 ......................
Cadmium borate, CdB40 7 ...........
Cadmium brornate hydrate,
Cd(Br0 3 )-2H2 0 ...................
Cadmium bromide, CdBr 2 ............
Cadmium bromide chloride, CdBrCl .,
Cadmium carbonate (otavite), CdC03
Cadmium cerium, CdCe ..............
Cadmium chlorate hydrate,
Cd(C104 ) 2 *6H2 0 ...................
Cadmium chloride, CdCl 2 ...........
Cadmium chromium oxide, CdCr204 ...
Cadmium copper, Cd 8 Cu5 ............
Cadmium cyanide, Cd(CN) 2 ..........
Cadmium fluoride, CdF2 ............
Cadmium iron oxide, CdFe 204 .......
Cadmium lanthanum, CdLa ...........
Cadmium manganese oxide, CdMn20 4 ..
Cadmium molybdenum oxide, CdMo0 4 ..
Cadmium nitrate hydrate,
Cd(N03 ) 2 -4H20 ....................
Cadmium oxide, CdO ................
Cadmium oxide, CdO (ref, standard)
Cadmium phosphate, Cd 2P207 ........
Cadmium phosphate, Cd3 (P04 ) 2 ......
Cadmium praseodymium, CdPr ........
Cadmium selenide (cadmoselite),
CdSe (hexagonal) .................
Cadmium silicate, Cd2 Si04 .........
Cadmium silicate, Cd3Si0 5 .........
Cadmium sulfate, CdS04 ............
Cadmium sulfate hydrate, CdS04 H20
Cadmium sulfate hydrate,
3CdS04 *8H20 ......................
Cadmium sulfide (greenockite), CdS
Cadmium telluride, CdTe ...........
Cadmium titanium oxide, CdTi03 ....
Cadmium tungsten oxide, CdW04 .....
Calcium, Ca .......................
Calcium aluminum germanium oxide,
Ca 3Al 2 (Ge04 ) 3 ....................
Calcium aluminum hydroxide,
Ca 3Al 2 (OH) 12 .....................
Calcium aluminum iron oxide
(brownmillerite), Ca4Al 2Fe 20 10 ...
Calcium aluminum oxide, Ca 3Al 206 ..
Calcium aluminum oxide (mayenite),
Ca 12Al 14033 ......................
Calcium aluminum sulfate hydrate
(ettringite), Ca 6Al 2 S 30 18 -31H2 0 ..
Calcium borate, CaB 204 ............
Calcium borate, CaB 2 04
(calculated pattern) .............
Calcium borate hydrate,
hexahydroborite, Ca[ B(OH) 4] 2 -2H20
Calcium boride, CaB6 ..............
Calcium bromide, CaBr 2 ............
Calcium bromide hydrate, CaBr2 -6H20
Calcium carbonate (aragonite),
CaC03 (orthorhombic) .............

3m

14

3m
10m
3

14
70
10

10m
16m

14
24

17m
9
llm
7
5m

14
17
15
11
63

3m
9
5m
llm
2m
10m
9m
5m
10m
6

19
18
16
81
8
15
16
63
16
21

7m
2
8m
16m
16m
5m

93
27
2
26
27
64

7
13m
13m
3m
6m

12
19
20
20
10

6m
4
3m
15m
2m
9m

8
15
21
21
8
68

10

15

llm

16

16m
5

28
10

Calcium carbonate (aragonite),

CaC03 (orthorhombic, calculated
pattern) .........................
Calcium carbonate (calcite),
CAC03 (hexagonal) ................
Calcium chloride (hydrophilite),
CaCl 2 ............................
Calcium chloride f luoride, CaCIF ..
Calcium chloride hydrate,
CaCl2 *4H20 .......................
Calcium chloride hydrate
(antarcticite), CaCl 2 -6H20 .......
Calcium chromium germanium oxide,
Ca 3Cr 2 (Ge04 ) 3 ....................
Calcium chromium iron titanium
oxide, loveringite, Ca <72KE <33 (Y,
Th,U,Pb)^ 05Ti 12>48Fe 3<38 Cr 2-24
.^
>
Calcium chromium oxide (chromatite) ,
CaCr0 4 ...........................
Calcium chromium oxide, Ca 3 (Cr0 4 ) 2
Calcium chromium silicate
(uvarovite), Ca 3 Cr2 (Si0 4 ) 3 .......
Calcium cyanamide, CaCN2 ..........
Calcium f luoride (fluorite), CaF 2 .
Calcium fluoride phosphate
(fluorapatite) , Ca sF(P0 4 ) 3 .......
Calcium fluoride phosphate hydrate,
CaFP0 3 -2H20 ......................
Calcium gallium germanium oxide,
Ca 3 Ga 2 (Ge04 ) 3 ....................
Calcium hydrogen phosphate hydrate,
Ca 8H2 (P04 ) 6 -5H20 .................
Calcium hydrogen phosphate sulfate
hydrate, Ca 2HP04 S04 -4H20 .........
Calcium hydroxide (portlandite) ,
Ca(OH) 2 ..........................
Calcium iodate (lautarite) ,
Ca(I0 3 ) 2 .........................
Calcium iodate hydrate,
Ca(I0 3 ) 2 -6H20 ....................
Calcium iron germanium oxide,
Ca 3Fe 2 (Ge0 4 ) 3 ....................
Calcium iron oxide, CaFe 2 04 .......
Calcium iron silicate (andradite) ,
Ca 3Fe 2 Si 30 12 .....................
Calcium iron silicate
hydroxide, julgoldite,
Ca2Fe 3Si 30 10 (OH,0) 2 (OH) 2 .........
Calcium lead nitrate,
Ca. 33Pb 067 (N03 ) 2 .................
Calcium lead nitrate,
Calcium magnesium silicate
(diopside), CaMg(Si03 ) 2 ..........
Calcium molybdenum oxide
(powellite) , CaMo0 4 ..............
Calcium nitrate, Ca(N0 3 ) 2 .........
Calcium oxide (lime), CaO .........
Calcium oxide (lime), CaO
(calculated pattern) .............
Calcium oxide phosphate, Ca 40(P04 ) 2
Calcium phosphate, p-Ca 2 P20 7 ......
Calcium platinum oxide, Ca 4Pt06 ...
Calcium selenide , CaSe ............

20
8
18m

3
17

15m

136

16m
16m
llm
8

104
29
70
15
53

85

14m

44

51

llm
10m

18
17

llm

73

12m

16

10

16

106

16m
7
15m

13
22

10
18m
1

17
19
69

3m

22

15m

24

10

18

13m

21

16m

109

58

14m

12

14m

13

10
18m

19
20
22

10m

72

12m

44

12m

44

5m

17

6
7
1

22
14
43

14m
12m
7m
10m
5m

49
17
95
18
64

Vol. or
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Vol. or
Sec. Page
Calcium strontium nitrate,
Ca.33Sr.67(N03 ) 2 .................
Calcium strontium nitrate,
Ca -67Sr. 33 (N03 ) 2 .................
Calcium sulfate (anhydrite), CaS0 4
Calcium sulfate hydrate (bassanite),
CaS04 -0.5H20 .....................
Calcium sulfate hydrate (gypsum),
CaS0 4 -2H2 0 .......................
Calcium sulfide (oldhamite), CaS ..
Calcium telluride, CaTe ...........
Calcium tin oxide, CaSn0 3 .........
Calcium titanium oxide
(perovskite), CaTi03 .............
Calcium tungsten oxide, Ca 3W06 ....
Calcium tungsten oxide, scheelite,
CaW04 ............................
Carbon, diamond, C ........ ........
Cerium arsenate, CeAs04 ...........
Cerium(III) chloride, CeCl 3 .......
Cerium cobalt, CeCo 2 ..............
Cerium cobalt, Ce 24 Cou ...........
Cerium copper, CeCu6 ..............
Cerium(III) fluoride, CeF3 ........
Cerium gallium, CeGa 2 .............
Cerium magnesium, CeMg ............
Cerium magnesium, CeMg 3 ...........
Cerium nickel, CeNi 2 ..............
Cerium niobium oxide, CeNb04 ......
Cerium niobium titanium oxide
(aeschynite), CeNbTi06 ...........
Cerium nitrate hydrate,
Ce(N03 ) 3 -6H2 0 ....................
Cerium nitride, CeN ...............
Cerium(IV) oxide (cerianite), Ce02
Cerium phosphide, CeP .............
Cerium tantalum oxide, CeTa0 4 .....
Cerium thallium, CeTl .............
Cerium thallium, CeTl 3 ............
Cerium thallium, Ce 3Tl ............
Cerium(III) vanadium oxide, CeV04
Cerium zinc, CeZn .................
Cerium zinc, CeZn3 ................
Cerium zinc, CeZn 5 ................
Cerium zinc, Ce 2 Zn 17 ..............
Cesium aluminum sulfate hydrate,
CsAl(S04 ) 2 -12H20 .................
Cesium antimony fluoride, CsSbF 6 ..
Cesium beryllium fluoride, CsBeF3
Cesium boron fluoride, CsBF4 ......
Cesium bromate, CsBr03 ............
Cesium bromide, CsBr ..............
Cesium cadmium bromide, CsCdBr 3
(hexagonal) ......................
Cesium cadmium chloride, CsCdCl 3
(hexagonal) ......................
Cesium calcium chloride, CsCaCl 3 ..
Cesium calcium fluoride, CsCaF3 ...
Cesium calcium sulfate,
Cs 2 Ca 2 (S04 ) 3 .....................
Cesium cerium chloride, Cs 2 CeCl 6 ..
Cesium chlorate, CsC103 ...........
Cesium chlorate, CsC10 4 ,
(orthorhombic) ...................
Cesium chloride, CsCl .............
Cesiua chromium oxide, Cs 2 Cr04 ....

12m

46

12m
4

46
65

18ro

22

17m
7
4m
17m

16
15
50
18

9m
9m

17
19

6
2
4m
1m
13m
13m
7m
8
13m
5m
13m
13m
18m

23
5
8
8
50
51
99
17
54
65
56
58
25

3m

24

17m
4m
1
4m
18m
13m
13m
13m
1m
5m
14m
14m
14m

20
51
56
52
27
59
60
61
9
65
50
53
55

6
4m
9m
8
8
3

25
9
69
22
18
49

10m

20

5m
5m
8m

19
21
25

7m
14m
8

12
58
20

1m
2
3m

10
44
25

Cesium chromium sulfate hydrate,

CsCr(S04 ) 2 *12H2 0 .................
Cesium cobalt(II) chloride, CsCoCl 3
Cesium cobalt chloride, Cs 2CoCl 4 ..
Cesium copper(II) chloride, CsCuCl 3
Cesium copper chloride, Cs 2CuCl 4 ..
Cesium copper sulfate hydrate,
Cs 2 Cu(S04 ) 2 -6H20 .................
Cesium fluoride, CsF ..............
Cesium gallium sulfate hydrate,
CsGa(S04 ) 2 *12H20 .................
Cesium germanium fluoride, Cs 2GeF6
Cesium iodate, CsI0 3 ..............
Cesium iodide, Csl ................
Cesium iodine bromide, CsI 2Br .....
Cesium iodine chloride, CsICl 2 ....
Cesium iron chloride hydrate,
Cs 2FeCl s H20 .....................
Cesium iron sulfate hydrate,
Cs 2Fe(S04 ) 2 -6H20 .................
Cesium iron sulfate hydrate,
CsFe(S04 ) 2 -12H20 .................
Cesium lead(II) chloride, CsPbCl 3
(tetragonal) .....................
Cesium lead fluoride, CsPbF3 ......
Cesium lithium cobalt cyanide,
CsLiCo(CN)e ......................
Cesium lithium fluoride, CsLiF2 ...
Cesium magnesium chromium oxide,
Cs 2Mg 2 (Cr04 ) 3 ....................
Cesium magnesium chromium oxide
hydrate, Cs 2Mg(Cr0 4 ) 2 -6H20 .......
Cesium magnesium sulfate hydrate,
Cs 2Mg(S04 ) 2 -6H20 .................
Cesium magnesium titanium oxide,
Cs 1 . 45Mgo.724Ti7.27 i6 ...........
Cesium manganese fluoride, CsMnF3
Cesium manganese sulfate hydrate,
Cs 2Mn(S04 ) 2 -6H20 .................
Cesium mercury chloride, CsHgCl 3 ..
Cesium nickel(II) chloride, CsNiCl 3
Cesium nickel sulfate hydrate,
Cs 2Ni(S04 ) 2 *6H20 .................
Cesium nitrate, CsN0 3 .............
Cesium osmium(IV) bromide, Cs 2OsBr6
Cesium osmium chloride, Cs 2 OsCl 6 ..
Cesium platinum bromide, Cs 2 PtBr6 .
Cesium platinum chloride, Cs 2PtCl 6
Cesium platinum fluoride, Cs 2PtF6 .
Cesium selenium bromide, Cs 2 SeBr6 .
Cesium silicon fluoride, Cs 2 SiF 6 ..
Cesium strontium chloride, CsSrCl 3
Cesium sulfate, Cs 2 S04 ............
Cesium tellurium bromide, Cs 2TeBrg
Cesium tin chloride, Cs 2 SnCl 6 .....
Cesium vanadium sulfate hydrate,
CsV(S04 ) 2 -12H20 ..................
Cesium zinc sulfate hydrate,
Cs 2 Zn(S04 ) 2 *6H20 .................
Chromium, Cr ......................
Chromium boride, -CrB ............
Chromium boride, Cr 5B3 ............
Chromium chloride, CrCl 2 ..........
Chromium chloride, CrCl 3 ..........
Chromium chloride hydrate, CrCl 3 -6H20
Chromium cobalt niobium, CoCrNb ...

86

8
6m
llm
5m
llm

21
11
19
22
20

7m
3m

14
26

8
5
15m
4
7m
3

23
17
26
47
103
50

14m

14

7m

16

28

5m
8m

24
26

10m
7m

79
105

8m

27

8m

29

7m

18

18m
10m

29
21

7m
7m
6m

20
22
12

7m
9
2m
2m
8
5
6
8
5
6m
7
9
5

23
25
10
11
19
14
27
20
19
13
17
24
16

1m

11

7m
5
17m
18m
llm
17m
16m
15m

25
20
22
30
77
23
31
140

Vol. or
Sec. Page

Vol. or
Sec. Page
Chromium cobalt silicide,
Co 9 Cr 15 Si 6 .....................
Chromium cobalt tantalum, CoCrTa
Chromium fluoride, CrF 2 .........
Chromium fluoride, Cr 2F 5 .........
Chromium(III) fluoride hydrate/
CrF3 -3H20 ......................
Chromium iridium, Cr 3 Ir .........
Chromium iron oxide,
Chromium oxide , Cr0 3 ..............
Chromium(III) oxide, Cr203 ........
Chromium phosphate, a-CrP04 .......
Chromium phosphate, (3-CrP04 .......
Chromium phosphate hydrate,
CrP04 -6H20 .......................
Chromium rhodium, Cr3Rh ...........
Chromium silicide, Cr 3Si ..........
Chromium sulfate, Cr 2 (S04 ) 3 .......
Cobalt , Co (cubic) ................
Cobalt aluminum oxide, CoAl 20 4 ....
Cobalt ammine iodide, Co(NH3 ) 6 I 3 ..
Cobalt antimony oxide, CoSb 2Og ....
Cobalt arsenide, CoAs 2 ............
Cobalt arsenide (skutterudite) ,
CoAs 3 ............................
Cobalt borate, Co 3 (B0 3 ) 2 ..........
Cobalt bromide hydrate, CoBr 2 *6H2 0
Cobalt(II) carbonate (sphaerocobaltite) , CoC03 ................
Cobalt chlorate hydrate,
Co(C10 4 ) 2 -6H20 ...................
Cobalt chloride hydrate, CoCl 2 -2H20
Cobalt chloride hydrate, CoCl 2 -6H20
Cobalt chromium oxide, CoCr204 ....
Cobalt copper tin, CoCu2 Sn ........
Cobalt dysprosium, Co 2Dy ..........
Cobalt erbium, Co 2Er ..............
Cobalt erbium, Co 7Er 2 .............
Cobalt fluoride, CoF 2 .............
Cobalt fluoride, CoF 2 (calculated
pattern) .........................
Cobalt fluoride hydrate, CoF 2 4H2 0
Cobalt gadolinium, CoGd3 ..........
Cobalt gadolinium, Co 2 Gd ..........
Cobalt gadolinium, Co 7 Gd2 .........
Cobalt gallium hafnium, Co 2 GaHf . . .
Cobalt gallium manganese, Co 2 GaMn
Cobalt gallium niobium,
><
Cobalt gallium niobium, Co 2 GaNb
Cobalt gallium oxide, CoGa 2 04 ..
Cobalt gallium tantalum,
Cobalt gallium tantalum, Co 2 GaTa
Cobalt gallium titanium, Co 2 GaTi
Cobalt gallium vanadium, Co 2 GaV .
Cobalt germanium, Co 3 Ge 2 ........
Cobalt germanium, Co 5Ge 7 ........
Cobalt germanium hafnium,
Co 16 Ge 7Hf 6 .....................
Cobalt germanium manganese,
Co 2 GeMn ........................
Cobalt germanium niobium,

14m
15m
10m
7m

Cobalt germanium niobium,

Co 16Ge 7Nb 6 ....................
Cobalt germanium oxide, Co 2 Ge04
Cobalt germanium tantalum,

62
142
81
108

5m
6m

25
14

17m
17m
5
2m
9

24
25
22
12
26

15m
6m
6
16m
4m
9
10m
5m
4m

27
15
29
33
10
27
83
26
10

10
12m
12m

21
20
21

10

24

3m
lira
llm
9m
14m
13m
13m
13m
18m

28
22
23
21
64
63
64
65
31

10m
llm
13m
13m
13m
14m
13m

85
24
68
71
72
65
75

15m
14m
10

144
66
27

15m
13m
13m
13m
14m
15m

146
76
77
78
67
148

14m

69

13m

79

15m

150

Cobalt germanium tantalum,

Co 16Ge 7Ta 6 .......................
Cobalt germanium titanium, Co 2 GeTi
Cobalt hafnium tin, Co 2HfSn .......
Cobalt holmium, Co 2Ho .............
Cobalt holmium, Co 9>2Ho 12 .........
Cobalt hydroxide, p-Co(OH) 2 .......
Cobalt indium, Coln3 ..............
Cobalt iodide , CoI 2 ...............
Cobalt iron arsenide
(safflorite), CoFeAs 4 ............
Cobalt iron oxide, CoFe 204 ........
Cobalt iron sulfide, Co 8FeS 8 ......
Cobalt iron vanadium,
C 4.35Fe 13.47 V 12.18 ..............

Cobalt lanthanum, CoLa 3 ...........

Cobalt lutetium, Co 2Lu ............
Cobalt magnesium, Co 2Mg ...........
Cobalt manganese silicide, Co 2MnSi
Cobalt mercury thiocyanate,
Co[Hg(CNS) 4 ] .....................
Cobalt molybdenum, Co 2Mo ..........
Cobalt molybdenum, Co 2Mo 3 .........
Cobalt molybdenum, Co 7Mo 6 .........
Cobalt molybdenum silicide,
Co 3Mo 2 Si .........................
Cobalt neodymium, Co 2Nd ...........
Cobalt nickel tin,
Cobalt niobium silicide, Co 3Nb 4 Si 7
Cobalt niobium tin, Co 2NbSn .......
Cobalt nitrate hydrate,
Of-Co(N0 3 ) 2 -6H20 ..................
Cobalt(II) oxide, CoO .............
Cobalt(II,III) oxide, Co 30 4 .......
Cobalt phosphate, Co(P03 ) 2 ........
Cobalt phosphide, CoP .............
Cobalt phosphide, CoP 3 ............
Cobalt phosphide, Co 2 P ............
Cobalt platinum, CoPt (disordered)
Cobalt platinum, CoPt (ordered) ...
Cobalt platinum, CoPt 3
(disordered) .....................
Cobalt platinum, CoPt 3 (ordered) . .
Cobalt plutonium CoPu2 ...........
Cobalt plutonium CoPu 3 ...........
Cobalt plutonium CoPu6 ...........
Cobalt plutonium Co 2 Pu ...........
Cobalt plutonium Co 3Pu ...........
Cobalt plutonium, Co 17Pu2 .........
Cobalt praseodymium, Co 2 Pr ........
Cobalt rhodium sulfide, Co 8RhS 8 ...
Cobalt ruthenium sulfide, Co 8RuS 8 .
Cobalt samarium, Co 2 Sm ............
Cobalt samarium, Co 5 Sra ............
Cobalt silicate, Co 2 Si0 4
(orthorhombic) ...................
Cobalt silicon fluoride hydrate,
CoSiF 6 -6H2 0 ......................
Cobalt sulfate, 0-CoS04 ...........

87

14m
10

71
27

15m

152

14m
13m
14m
14m
15m
15m
13m
4m

73
80
75
76
154
29
81
52

10
9m
14m

28
22
77

14m
13m
13m
15m
14m

79
83
86
156
81

2m
14m
15m
15m

13
82
158
160

15m
13m

162
87

13m
15m
15m

88
164
166

12m
9
9
13m
14m
14m
18m
15m
15m

22
28
29
23
83
85
32
167
168

15m
15m
14m
15m
14m
14m
14m
14m
14m
14m
14m
15m
13m

169
170
87
171
89
91
92
94
97
98
100
173
90

4m

11

3ro
2m

27
14

Vol. or
Sec. Page

Vol. or
Sec. Page
Cobalt tantalum silicide,
Co 16Ta 6Si 7 .......................
Cobalt thorium, Co 17Th2 ...........
Cobalt tin, Co 3 Sn2 ................
Cobalt tin oxide, Co 2Sn04 .........
Cobalt tin vanadium, Co 2 SnV .......
Cobalt tin zirconium, Co 2 SnZr .....
Cobalt titanium oxide, CoTi03 .....
Cobalt titanium silicide,
Co 16Ti 6Si 7 .......................
Cobalt tungsten oxide, CoW0 4 ......
Cobalt vanadium silicide, Co 2VSi ..
Copper, Cu ........................
Copper ammine selenate,
Cu(NH3 ) 4Se0 4 .....................
Copper ammine sulfate hydrate,
Cu(NH3 ) 4 S04 -H2 0 ..................
Copper antimony oxide, CuSb 20 6 ....
Copper arsenate (trippkeite),
CuAs 2 04 ..........................
Copper(I) bromide, CuBr ...........
Copper(I) chloride (nantokite),
CuCl .............................
Copper chloride hydrate
(eriochalcite), CuCl 2 '2H2 0
Copper fluoride hydrate, CuF2 *2H2 0
Copper hydrogen phosphite hydrate,
CuHP0 3 '2H20 ......................
Copper hydroxide carbonate,
azurite, Cu3 (OH) 2 (C03 ) 2 ..........
Copper hydroxide carbonate
(malachite), Cu2 (OH) 2 C0 3 .........
Copper hydroxide phosphate
(libethenite), Cu2 (OH)P0 4 ........
Copper(I) iodide (marshite), Cul ..
Copper lead hydroxide sulfate,
linarite, CuPb(OH) 2 (S04 ) .........
Copper(I) oxide (cuprite), Cu2 0 ...
Copper(II) oxide (tenorite), CuO ..
Copper phosphate, Cu(P0 3 ) 2 ........
Copper phosphate, Of-Cu2P2 0 7 .......
Copper sulfate (chalcocyanite),
CuS04 ............................
Copper(II) sulfide (covellite), CuS
Copper uranium oxide, CuU0 4 .......
Dichlorotetraaquochromium (III)
chloride dihydrate,
[Cr(H20) 4 Cl 2 ] C1-2H20 ............
Dysprosium arsenate, DyAs04 .......
Dysprosium arsenide, DyAs .........
Dysprosium gallium oxide,
Dy3 Ga 50 12 ........................
Dysprosium gold, DyAu .............
Dysprosium nitride, DyN ...........
Dysprosium oxide, Dy2 03 ...........
Dysprosium silver, DyAg ...........
Dysprosium telluride, DyTe ........
Dysprosium vanadium oxide, DyV04 ..
Erbium arsenate, ErAs04 ...........
Erbium arsenide, ErAs .............
Erbium gallium oxide, Er3Ga 50 12 ...
Erbium manganese oxide, ErMn03 ....
Erbium nitride, ErN ...............
Erbium oxide, Er203 ...............
Erbium phosphate, ErP0 4 ...........
Erbium silver, ErAg ...............

14m
12m
13m
15m
15m
15m
Am

102
64
92
30
174
175
13

14m
4m
15m
1

104
13
176
15

10m

87

10m
5m

90
27

16m
4

120
36

Erbium telluride , Erie ............

Erbium vanadium oxide, ErV0 4 ......
Europium arsenate, EuAs04 .........
Europium(III) chloride, EuCl 3 .....
Europium chloride oxide, EuCIO ....
Europium gallium oxide,
Eu 3Ga 50 12 ........................
Europium nitride , EuN .............
Europium oxide , EuO ...............
Europium phosphate, EuP04 .........
Europium(III) vanadium oxide, EuV04
Gadolinium arsenate, GdAs04 .......
Gadolinium arsenide, GdAs .........
Gadolinium chloride hydrate,
GdCl 3 *6H20 .......................
Gadolinium chloride oxide, GdCIO ..
Gadolinium fluoride, GdF3 .........
Gadolinium gallium oxide,
Gadolinium indium, Gdln ...........
Gadolinium nitride, GdN ...........
Gadolinium oxide, Gd203 ...........
Gadolinium silver, GdAg ...........
Gadolinium titanium oxide, Gd 2Ti0 5
Gadolinium vanadium oxide, GdV04 ..
Gallium, Ga .......................
Gallium arsenide , GaAs ............
Gallium lutetium oxide, Ga 5Lu 30 12
Gallium magnesium, Ga 2Mg ..........
Gallium magnesium, Ga 5Mg2 .........
Gallium neodymium oxide, Ga 5Nd30 12
Gallium oxide, a-Ga 203 ............
Gallium phosphate (a-quartz type),
GaP04 ............................
Gallium phosphate hydrate,
GaP04 -2H20 .......................
Gallium samarium oxide, Ga 5Sm30 12
Gallium ytterbium oxide, Ga 5Yb30 12
Gallium yttrium oxide, Ga 5Y 30 12 . . .
Germanium, Ge .....................
Germanium iodide, GeI 2 ............
Germanium(IV) iodide, GeI 4 ........
Germanium oxide, Ge02 (hexagonal)
(low form) .......................
Germanium oxide, Ge02
(tetragonal) (high form) .........
Gold, Au ..........................
Gold chloride , AuCl ...............
Gold(I) cyanide, AuCN .............
Gold holmium, AuHo ................
Gold magnesium, AuMg ..............
Gold niobium, AuNb 3 ...............
Gold potassium cyanide, AuK(CN) 2 ..
Gold tin, AuSn ....................
Gold titanium, AuTi 3 ...............
Gold vanadium, AuV3 ................
Hafnium, Hf ......................'..
Holmium arsenate, HoAs04 ...........
Holmium fluoride, HoF3 .............
Holmium nitride , HoN ...............
Holmium oxide , Ho 203 ...............
Holmium selenide , HoSe .............
Holmium silver, HoAg .........
Holmium vanadium oxide, HoV04 ......
Hydrazinium sulfate, (NH3 ) 2S04 .....
Hydrogen amidosulfate, H2NS03H .....

35
18m
llm

33
25

llm

83

10

30

10

31

17m
4

30
38

16m
2
1
14m
7m

34
23
49
15
113

3m
4
10m

29
13
93

16m
3m
4m

31
30
53

2m
5m
4m
9
5m
4m
4m
3m
4m
1m
2m
4m
8
9
5m

15
66
53
30
66
54
15
31
54
12
16
55
25
31
67

88

4m
5m
3m
1m
1m

55
29
32
13
13

2m
4m
4m
llm
4m
4m
4m

17
56
56
26
16
17
57

7m
1m
1m

118
17
14

2m
5m
4m
1m
6m
8m
5m
2
3m
2m
12m
12m
1m
4

18
67
57
16
87
32
30
9
33
22
48
51
34
25

27

1m
1m
1m
1
4m
5

34
42
49
50
18
58
25
51

8
1
16m
10
5m
6m
6m
8m
7
6m
6m
3
3m
10m
4m
9
4m
5m
4m
17m
7

28
33
37
33
68
83
16
36
19
17
18
18
34
23
58
32
59
68
18
38
54

Vol. or
Sec. Page

Vol. or
Sec. Page
Hydrogen arsenate, H 5As 30 10 ........
Hydrogen borate, p-HB02 (monoclinic)
Hydrogen borate (metaborite),
HB02 (cubic) .....................
Hydrogen iodate, HI03 .............
Hydrogen iodate, HI 30 8 ............
Hydrogen phosphate hydrate,
H3P04 -0.5H20 .....................
Hydrogen tellurate, H6Te0 6 ........
Indium, In ........................
Indium arsenide, InAs .............
Indium oxide, In203 ...............
Indium phosphate, InP04 ...........
Indium sulfide, In 2 S 3 .............
Iodine, I 2 ........................
Iridium, Ir .......................
Iridimn niobium, IrNb 3 ............
Iridium oxide, Ir0 2 ...............
Iridium titanium, IrTi 3 ...........
Iridium vanadium, IrV3 ............
Iron, a-Fe ........................
Iron arsenide, FeAs ...............
Iron arsenide (loellingite), FeAs 2
Iron boride, FeB ..................
Iron bromide, FeBr 2 ...............
Iron carbonate, siderite, FeC03 ...
Iron chloride hydrate (rokuhnite),
FeCl 2 -2H20 .......................
Iron chloride hydrate (hydromolysite),
FeCl 3 -6H2 0 .......................
Iron fluoride hydrate, FeF 2 -4H20
Iron fluoride, FeF 3 ...............
Iron fluoride hydrate, p-FeF3 -3H2 0
Iron hydroxide sulfate hydrate,
butlerite, Fe(OH)S04 -2H2 0 ........
Iron iodide, FeI 2 .................
Iron oxide (hematite), a-Fe 20 3 ....
Iron(II,III) oxide (magnetite),
Fe 304 ............................
Iron phosphate, FeP0 4 .............
Iron phosphate hydrate (vivianite),
Fe 3 (P04 ) 2 -8H20 ...................
Iron sulfate, Fe 2 (S04 ) 3 ...........
Iron sulfate hydrate (melanterite),
FeS04 -7H20 .......................
Iron sulfide (pyrite), FeS 2 .......
Iron thorium, Fe 17 Th2 .............
Iron titanium oxide (ilmenite),
FeTi0 3 ...........................
Iron yttrium oxide, Fe 5Y30 12 ......
Lanthanum arsenate, LaAs04 ........
Lanthanum arsenide, LaAs ..........
Lanthanum borate, LaB03 ...........
Lanthanum chloride, LaCl 3 .........
Lanthanum chloride oxide, LaCIO ...
Lanthanum fluoride, LaF3 ..........
Lanthanum magnesium, LaMg .........
Lanthanum nickel platinum,
LaNi 0 . 25Pt 4 , 7 5 ...................
Lanthanum niobium titanium oxide,
LaNbTi06 ........................
Lanthanum nitrate hydrate,
La(N0 3 ) 3 -6H20 ....................
Lanthanum nitride, LaN ............
Lanthanum oxide, La 20 3 ............
Lanthanum phosphide, LaP ..........

7m
9m

84
71

4m
5
8m

27
28
104

12m
12m
3
3m
5
8
llm
3
4
6m
4m
6m
6m
4
1m
10
18m
4m
15m

56
34
12
35
26
29
30
16
9
19
19
20
21
3
19
34
35
59
32

llm

32

17m
llm
18m
17m

40
90
36
41

10m
4m
18m

95
60
37

5m
15m

31
33

16m
16m

38
39

8m
5
12m

38
29
67

15m
18m
3m
4m
1m
1m
7
7
5m

34
38
36
60
20
20
22
21
69

17m

42

3m

37

8m
4m
3
5m

40
61
33
69

Lanthanum selenide, LaSe ..........

Lanthanum titanium oxide, La 2Ti 207
Lanthanum zinc, LaZn ..............
Lead, Pb ..........................
Lead borate, PbB40 7 ...............
Lead bromide, PbBr 2 ...............
Lead bromide chloride, PbBrCl .....
Lead bromide fluoride, PbBrF ......
Lead bromide hydroxide, PbBr(OH) ..
Lead bromide oxide, Pb 302Br 2 ......
Lead carbonate (cerussite), PbC0 3
Lead chloride (cotunnite), PbCl 2 ..
Lead chloride fluoride (matlockite),
PbCIF ............................
Lead chromium oxide, Pb2 Cr0 5 ......
Lead fluoride, Cf-PbF 2
(orthorhombic) ...................
Lead fluoride, p-PbF 2 (cubic) .....
Lead fluoride iodide, PbFI ........
Lead hydrogen arsenate (schultenite),
PbHAs04 ..........................
Lead hydrogen phosphate, PbHP0 4 ...
Lead hydroxide phosphate,
Pb 5OH(P0 4 ) 3 ......................
Lead iodate, Pb(I0 3 ) 2 .............
Lead(II) iodide, PbI 2 .............
Lead molybdenum oxide (wulfenite),
PbMo0 4 ...........................
Lead nitrate, Pb(N03 ) 2 ............
Lead oxide (litharge), PbO (red,
tetragonal) ......................
Lead oxide (massicot), PbO (yellow,
orthorhombic) ....................
Lead(II,III) oxide (minium), Pb 304
Lead oxide sulfate, Pb 50 5 S04 ......
Lead selenide (clausthalite), PbSe
Lead strontium nitrate,
Pb <33Sr <67 (N0 3 ) 2 .................
Lead strontium nitrate,
Pb.67Sr. 33 (N0 3 ) 2 .................
Lead sulfate (anglesite), PbS04 ...
Lead sulfide (galena), PbS ........
Lead tin oxide, Pb 2 Sn04 ...........
Lead titanium oxide (macedonite),
PbTi0 3 ...........................
Lead tungsten oxide (stolzite),
PbW04 (tetragonal) ...............
Lead uranium oxide, Pb 3U06 ........
Lithium aluminum fluoride,
-Li 3AlF6 ........................
Lithium arsenate, Li 3As0 4 .........
Lithium azide, LiN 3 ...............
Lithium barium fluoride, LiBaF 3 ...
Lithium beryllium fluoride, Li 2BeF 4
Lithium borate, Li 2B40 7 ...........
Lithium bromide, LiBr .............
Lithium calcium aluminum boron
hydroxy silicate, liddicoatite,
Ca(Li,Al) 3Al 6B3 Si 6027 (0,OH) 3 (OH,F)
Lithium carbonate, Li 2 C0 3 .........
Lithium chlorate hydrate,
LiC10 4 -3H20 ......................
Lithium chloride, LiCl ............
Lithium chromium oxide hydrate,
Li 2 Cr04 -2H20 .....................
Lithium fluoride, LiF .............

89

4m
15m
5m
1
4m
17m
llm
10m
16m
5m
2
12m

61
35
70
34
19
43
33
25
40
32
56
23

13m
14m

25
16

5
5
10m

31
33
26

14m
15m

18
37

8
17m
5

33
45
34

7
5

23
36

30

2
8
10m
5

32
32
27
38

12m

53

12m
3
2
10m

53
67
18
29

39

5m
8m

34
109

8m
2m
8m
5m
7m
8m
4

111
19
113
35
126
114
30

16m
8m

42
42

8
1

34
62

16m
1

44
61

Vol. or
Sec. Page

Vol. or
Sec. Page
Lithium gallium oxide, LiGa02 .....
Lithium hydroxide, LiOH ...........
Lithium hydroxide hydrate, LiOH*H2 0
Lithium iodate, LiI0 3 (hexagonal)
Lithium iodate, LiI03 (tetragonal)
Lithium iodide hydrate, LiI'3H 2 0 ..
Lithium molybdenum oxide, Li 2Mo0 4
(trigonal) .......................
Lithium niobium oxide, LiNb03 .....
Lithium nitrate, LiN0 3 ............
Lithium oxide, Li 2 0 ...............
Lithium phosphate, high form, Li 3P0 4
Lithium phosphate, low form
(lithiophosphate) , Li 3P0 4 ........
Lithium phosphate hydrate,
Li 3P 30 9 -3H20 .....................
Lithium potassium sulfate, KLiS0 4
Lithium rubidium fluoride, LiRbF 2
Lithium selenide, Li 2 Se ...........
Lithium silicate, Li 2 Si03 .........
Lithium silver bromide,
Lithium silver bromide, Li >4Ag <6 Br
Lithium silver bromide,
Li. 6Ag. 4Br .......................
Lithium silver bromide,
Li .8Ag.2 Br .......................
Lithium sodium aluminum fluoride,
cryolithionite, Li 3Na 3Al 2F 12 .....
Lithium sodium sulfate, LiNaS0 4 ...
Lithium sulfate, Li 2 S0 4 ...........
Lithium sulfate hydrate,
Li 2 S04 *H2 0 .......................
Lithium sulfide, Li 2 S .............
Lithium tantalum oxide, LiTa03 ....
Lithium telluride, Li 2 Te ..........
Lithium tin oxide, Li 2 Sn03 ........
Lithium tungsten oxide, Li 2 W04
(trigonal) .......................
Lithium tungsten oxide hydrate,
Li 2W0 4 -0.5H 20 ....................
Lithium uranium fluoride, LiUF 5 ...
Lutetium arsenate, LuAs04 .........
Lutetium manganese oxide, LuMn0 3 ..
Lutetium nitride, LuN .............
Lutetium oxide, Lu2 0 3 .............
Lutetium vanadium oxide, LuV0 4 ....
Magnesium, Mg .....................
Magnesium aluminum oxide (spinel),
MgAl 20 4 ..........................
Magnesium aluminum silicate (low
cordierite) , Mg 2Al 4 Si 5O lS
(orthorhorabic) ...................
Magnesium aluminum silicate
(indialite) Mg2Al 4Si 50 18
(hexagonal) ......................
Magnesium aluminum silicate
(pyrope), Mg 3Al 2 (Si04 ) 2 ..........
Magnesium borate, MgB4 0 7 ..........
Magnesium borate, Mg 2 B2 0 5
(triclinic) ......................
Magnesium bromide, MgBr2 ..........
Magnesium bromide hydrate,
MgBr2 -6H20 .......................
Magnesium carbonate (magnesite),
MgC0 3 ............................

10m
17m
llm
7
10m
18m

31
46
92
26
33
40

1m
6m
7
1m
3m

23
22
27
25
39

4m

21

2m
3m
7m
10m
14m

20
43
128
100
19

12m
12m

55
55

12m

55

12m

55

9m
6m
6m

23
24
26

4m
10m
14m
10m
16m

22
101
20
102
45

1m

25

2m
7m
5m
2m
4m
1m
5m
1

20
131
36
23
62
27
37
10

9m

25

1m

28

1m

29

4m
17m

24
47

4m
4m

25
62

llm

35

28

Magnesium cerium nitrate hydrate,

Mg3 Ce 2 (N0 3 ) 12 -24H2 0 ..............
Magnesium chlorate hydrate,
Mg(C104 ) 2 -6H2 0 ...................
Magnesium chloride (chloromagnesite), MgCl 2 ................
Magnesium chloride hydrate,
MgCl 2 -12H 2 0 ......................
Magnesium chloride hydrate
(bischofite), MgCl 2 -6H2 0 .........
Magnesium chromium oxide
(magnesiochromite), MgCr 204 ......
Magnesium chromium oxide hydrate,
MgCr0 4 -5H2 0 ......................
Magnesium fluoride (sellaite), MgF 2
Magnesium fluoride silicate
(humite), Mg 7F2 Si 30 12 ............
Magnesium fluoride silicate
(norbergite), Mg3F 2 Si0 4 ..........
Magnesium gallium oxide, MgGa 2 0 4 ..
Magnesium germanium oxide,
Mg2 Ge04 (cubic) ..................
Magnesium germanium oxide,
Mg 2 Ge0 4 (orthorhombic) ...........
Magnesium hydrogen phosphate
hydrate, newberyite, MgHP0 4 -3H 2 0
Magnesium hydroxide (brucite),
Mg(OH) 2 ..........................
Magnesium iodate hydrate,
Mg(I0 3 ) 2 -4H2 0 ....................
Magnesium iron hydroxide carbonate
hydrate, pyroaurite,
Mg6Fe 2 (OH) 16 C0 3 -4H2 0 (rhomb.) ....
Magnesium iron hydroxide carbonate
hydrate, sjogrenite,
Mg 6Fe 2 (OH) 16 C03 -4H2 0, (hexag.) ...
Magnesium lanthanum nitrate
hydrate, Mg 3La 2 (N0 3 ) 12 -24H2 0 .....
Magnesium manganese oxide, MgMn2 0 4
Magnesium mercury, MgHg ...........
Magnesium molybdenum oxide, MgMo0 4
Magnesium nickel oxide, MgNi0 2 ....
Magnesium oxide (periclase), MgO ..
Magnesium phosphate, Mg(P0 3 ) 2 .....
Magnesium phosphate, a-Mg 2P 20 7 ....
Magnesium selenide, MgSe ..........
Magnesium selenite hydrate,
MgSe03 *6H2 0 ......................
Magnesium silicate, enstatite,
MgSi03 ...........................
Magnesium silicate (forsterite),
Mg2 Si0 4 ..........................
Magnesium sulfate hydrate
(kieserite), MgS04 *H2 0 ...........
Magnesium sulfate hydrate
(epsomite), MgS04 *7H2 0 ...........
Magnesium sulfide, MgS ............
Magnesium sulfite hydrate,
MgS0 3 -6H 2 0 .......................
Magnesium tin, Mg 2 Sn ..............
Magnesium tin oxide> Mg 2 Sn0 4 ......
Magnesium titanium oxide
(geikielite), MgTi0 3 .............
Magnesium titanium oxide, Mg 2Ti0 4
Magnesium tungsten oxide, MgW0 4 ...
Manganese, a-Mn (calculated pattern)

90

10

20

7m

30

llm

94

7m

135

llm

37

34

15m
4

39
33

1m

30

10
10

39
36

10

37

10

38

7m

139

30

17m

48

10m

104

10m

103

1m
10m
6m
7m
10m
1
13m
18m
5m

22
35
84
28
36
37
26
41
70

8m

116

32

83

16m

46

7
7

30
31

9m
5
10m

26
41
37

5
12m
13m
7m

43
25
27
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Vol. or
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Manganese, or-Mn ...................
Manganese, ^Mn ...................
Manganese aluminum oxide (galaxite),
MnAl 204 ..........................
Manganese bromide, MnBr2 ..........
Manganese(II) carbonate
(rhodochrosite), MnC03 ...........
Manganese chloride (scacchite),
MnCl 2 ............................
Manganese chloride hydrate,
MnCl 2 -2H2 0 .......................
Manganese chloride hydrate,
MnCl 2 -4H20 .......................
Manganese cobalt oxide, MnCo 20 4 ...
Manganese fluoride, MnF2 ..........
Manganese iodide, MnI 2 ............
Manganese iron oxide (jacobsite),
MnFe 20 4 ..........................
Manganese(II) oxide (manganosite),
MnO ..............................
Manganese oxide (pyrolusite), (3-Mn02
Manganese oxide (bixbyite), Of-Mn203
Manganese oxide (hausmannite),
Mn304 ............................
Manganese oxide hydroxide, groutite,
a-MnOOH ..........................
Manganese phosphate, Mn(P03 ) 2 .....
Manganese phosphate, Mn2P20 7 ......
Manganese phosphate, Mn3 (P04 ) 2 ....
Manganese selenide, MnSe ..........
Manganese sulfate hydrate
(szmikite), MnS04 -H20 ............
Manganese sulfide (alabandite),
Of-MnS ............................
Manganese titanium oxide
(pyrophanite), MnTi03 ............
Manganese(II) tungsten oxide
(huebnerite), MnW04 ..............
Manganese vanadium oxide, Mn2V20 7
Mercury amide chloride, HgNH2 Cl ...
Mercury ammine chloride,
Hg(NH3 ) 2 Cl 2 ......................
Mercury bromate, Hg(Br03 ) 2 ........
Mercury bromide, HgBr2 ............
Mercury bromide, Hg2Br 2 ...........
Mercury chloride, HgCl2 ...........
Mercury chloride (calomel),
Hg2 Cl 2 ...........................
Mercury chloride sulfide,
a-Hg 3Cl 2S 2 .......................
Mercury(II) cyanide, Hg(CN) 2 ......
Mercury(II) fluoride, HgF2 ........
Mercury hydroxide nitrate,
Hg(OH)N03 ........................
Mercury(I) iodide, Hgl ............
Mercury(II) iodide, HgI 2 (tetragonal)
Mercury(II) oxide (montroydite),
HgO ..............................
Mercury(II) selenide (tiemannite),
HgSe .............................
Mercury sulfate, HgS04 ............
Mercury sulfate, Hg2S04 ...........
Mercury(II) sulfide (cinnabar),
HgS (hexagonal) ..................
Mercury(II) sulfide (metacinnabar),
HgS (cubic) ......................

17m
18m

50
43

9
4m

35
63

32

8m

43

lira

38

9m
9m
10m
4m

28
30
105
63

36

5
10m
llm

45
39
95

10m

38

llm
14m
15m
16m
10

97
21
41
47
41

16m

49

11

15m

42

2m
9m
10m

24
75
40

llm
10m
10m
7
13m

39
107
110
33
29

13m

30

8m
6
2m

118
35
25

17m
4
7m

52
49
32

39

7
16m
16m

35
50
52

17

21

Molybdenum, Mo ....................
Molybdenum arsenide, Mo 2As 3 .......
Molybdenum osmium, Mo30s ..........
Molybdenum oxide, MoOg ............
Molybdenum oxide (molybdite), Mo03
Molybdenum sulfide (molybdenite),
MoS 2 .............................
Neodymium arsenate, NdAs04 ........
Neodymium arsenide, NdAs ..........
Neodymium borate, NdB03 ...........
Neodymium chloride, NdCl 3 .........
Neodymium chloride oxide, NdOCl ...
Neodymium fluoride, NdF 3 ..........
Neodymium oxide, Nd20 3 ............
Neodymium phosphate, NdP04 ........
Neodymium selenide, NdSe ..........
Neodymium silver, NdAg ............
Neodymium tantalum oxide, NdTa04 ..
Neodymium titanium oxide, Nd 2Ti0 5
Neodymium titanium oxide, Nd2Ti 20 7
Neodymium titanium oxide, Nd 4Tig024
Neodymium vanadium oxide, NdV0 4 ...
Neptunium nitride, NpN ............
Nickel, Ni ........................
Nickel aluminum oxide, NiAl 204 ....
Nickel arsenide (rammelsbergite),
NiAs 2 ............................
Nickel arsenic sulfide
(gersdorffite), NiAsS ............
Nickel bromide, NiBr2 .............
Nickel(II) carbonate, NiC03
(trigonal) .......................
Nickel chloride, NiCl 2 ............
Nickel chloride hydrate,
NiCl 2 -6H20 .......................
Nickel fluoride, NiF2 .............
Nickel fluoride hydrate, NiF2 *4H20
Nickel gallium oxide, NiGa 2 04 .....
Nickel germanium oxide, Ni 2 Ge04 ...
Nickel iron oxide (trevorite),
NiFe 204 ..........................
Nickel nitrate hydrate,
Ni(N03 ) 2 -6H20 ....................
Nickel(II) oxide (bunsenite), NiO
Nickel phosphate, Ni(P03 ) 2 ........
Nickel phosphide, Ni 12P 5 ..........
Nickel silicon fluoride hydrate,
NiSiF6 -6H20 ......................
Nickel sulfate, NiS04 .............
Nickel sulfate hydrate (retgersite),
NiS04 -6H20 .......................
Nickel sulfide, millerite, NiS ....
Nickel titanium oxide, NiTi0 3 .....
Nickel tungsten oxide, NiW04 ......
Nickel yttrium, Ni 3Y ..............
Niobium boride, -NbB .............
Niobium chloride oxide, NbCl 30 ....
Niobium osmium, Nb 30s .............
Niobium platinum, Nb 3Pt
Niobium silicide, NbSi 2 ...
Niobium silicide, a-Nb 5Si 3
Niobium silicide, p-Nb 5Si 3
Osmium, Os .................
Osmium titanium, OsTi ......
Palladium, Pd ..............
Palladium hydride, PdH0 ^ 706

91

1
10m
6m
18m
3

20
115
28
44
30

5
4m
4m
1m
1m
8
8
4
llm
5m
5m
18m
18m
18m
18m
4m
4m
1
9

47
28
64
32
33
37
36
26
40
71
71
46
48
50
52
30
64
13
42

10

42

1m
10m

35
119

1m
9m

36
81

llm
10m
llm
10
9

42
121
43
45
43

10

44

12m
1
14m
9m

26
47
22
83

8
2m

38
26

7
1m
18m
2m
10m
17m
7m
6m
6m
8
15m
15m
4
6m
1
5m

36
37
54
27
123
54
148
30
31
39
43
44
8
85
21
72

Vol. or
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Palladium oxide, PdO ..............
Palladium selenium (palladseite) ,
Pd 17 Se 15 .........................
Palladium vanadium, PdV3 ..........
Phosphorus bromide, PBr 7 ..........
Phosphorus oxide (stable form I),
P2 0 5 (ortho rhombic) ..............
Phosphorus oxide (stable form II),
P2 0 5 (orthorhombic) ..............
Phosphorus oxide (raetastable form),
P40 10 (rhombohedral) .............
Platinum, Pt ......................
Platinum titanium, PtTi 3 ..........
Platinum vanadium, PtV3 ...........
Plutonium arsenide, PuAs ..........
Plutonium phosphide, PuP ..........
Plutonium telluride, PuTe .........
Potassium aluminum sulfate,
KA1(S04 ) 2 ........................
Potassium aluminum sulfate hydrate
(potash alum), KA1(S0 4 ) 2 -12H20 ...
Potassium arsenic fluoride,
KAsF6 ............................
Potassium barium chromium oxide,
K2 Ba(Cr04 ) 2 ......................
Potassium barium iron titanium
oxide , K! . 16Ba 0 m 72Fe 0 m 36 Ti 5 . S &^13
Potassium barium molybdenum oxide,
K2 Ba(Mo04 ) 2 ......................
Potassium barium nickel nitrite,
K2 BaNi(N0 2 ) 6 .....................
Potassium borate hydroxide hydrate,
K2 B4 0 5 (OH) 4 '2H 2 0 .................
Potassium boron hydride, KBH4 .....
Potassium bromate, KBr0 3 ..........
Potassium bromide, KBr ............
Potassium bromide chloride,

Potassium chromium oxide sulfate,

K 2 (Cr04 ).67(S04 ). 33 ..............
Potassium chromium sulfate,
KCr(S0 4 ) 2 ........................
Potassium chromium sulfate hydrate,
KCr(S04 ) 2 -12H2 0 ..................
Potassium cobalt(II) fluoride,
KCoF3 ............................
Potassium cobalt fluoride, K2 CoF4
Potassium cobalt nitrite,
K 3Co(N02 ) 6 .......................
Potassium cobalt(II) sulfate,
K2 Co 2 (S0 4 ) 3 ......................
Potassium copper chloride, KCuCl 3
Potassium copper chloride hydrate
(mitscherlichite), K2 CuCl 4 -2H2 0 ..
Potassium copper(II) fluoride,
KCuF3 ............................
Potassium cyanate, KCNO ...........
Potassium cyanide, KCN ............
Potassium fluoride, KF ............
Potassium fluoride hydrate, KF'2H2 0
Potassium germanium fluoride,
K 2 GeF6 ...........................
Potassium hydrogen arsenate,
KH 2As04 ..........................
Potassium hydrogen iodate,
KH(I03 ) 2 .........................
Potassium hydrogen phosphate,
KH2 P04 ...........................
Potassium hydroxide, KOH at 300 C
Potassium iodate, KI0 3 ............
Potassium iodate, KI0 4 ............
Potassium iodide, KI ..............
Potassium iron chloride hydrate
(erythrosiderite), K2FeCl 5 *H2 0 ...
Potassium iron cyanide, K3Fe(CN) 6
Potassium iron cyanide, K4Fe(CN)g
Potassium iron(II) fluoride, KFeF3
Potassium iron fluoride, K3FeFg ...
Potassium iron sulfate (yavapaiite),
KFe(S0 4 ) 2 ........................
Potassium lead chloride, KPb 2 Cl 5 ..
Potassium lead chromium oxide,
K2 Pb(Cr04 ) 2 ......................
Potassium lead molybdenum oxide,
K2Pb(Mo0 4 ) 2 ......................
Potassium lead phosphate,
K2Pb(P0 3 ) 4 .......................
Potassium lead selenate,
K2Pb(Se04 ) 2 ......................
Potassium lead sulfate (palmierite),
K 2 Pb(S0 4 ) 2 .......................
Potassium magnesium chloride
hydrate (carnallite), KMgCl 3 *6H2 0
Potassium magnesium chromium oxide,
K2Mg2 (Cr04 ) 3 .....................
Potassium magnesium fluoride, KMgF3
Potassium magnesium fluoride, K2MgF4
Potassium magnesium selenate
hydrate, K2Mg(Se0 4 ) 2 *6H20 ........
Potassium magnesium sulfate
(langbeinite), K2Mg 2 (S04 ) 3 .......
Potassium magnesium sulfate hydrate
(picromerite), K2Mg(S0 4 ) 2 *6H20

27
16m
6m
7m

139
32
150

9m

86

9m

88

9m
1
6m
6m
4m
4m
4m

91
31
33
34
65
65
66

9m

31

36

17m

57

14m

23

16m

147

14m

24

9m

32

15m
9
7
1

46
44
38
66

8m

46

lira
llm
8m

44
45
47

7m

34

8m
7m
8m

48
36
49

7m

37

9m

33

7m

39

14m
12m
3m
6
1
3m

25
59
42
43
65
44

15m

47

12m

28

Potassium bromide iodide,

Potassium bromide iodide, KBr^ 67 I <33
Potassium cadmium fluoride, KCdF 3
Potassium cadmium sulfate,
K2 Cd 2 (S04 ) 3 ......................
Potassium calcium carbonate
(fairchildite), K 2 Ca(C03 ) 2 .......
Potassium calcium chloride, KCaCl 3
Potassium calcium fluoride, KCaF3
Potassium calcium magnesium sulfate,
K2 CaMg(S04 ) 3 .....................
Potassium calcium nickel nitrite,
K2 CaNi(N02 ) 6 .....................
Potassium calcium sulfate,
K2 Ca 2 (304 ) 3 ......................
Potassium calcium sulfate hydrate
(syngenite), K2 Ca(S04 ) 2 -H2 0 ......
Potassium cerium fluoride, p-KCeF4
Potassium chlorate, KC10 3 .........
Potassium chlorate, KC10 4 .........
Potassium chloride (sylvite), KC1
Potassium chromium oxide, K3 Cr0 8 ..
Potassium chromium oxide (lopezite),
K2 Cr20 7 ..........................
Potassium chromium oxide sulfate,
K2 (Cr04 ) <33 (S04 ) i67 ..............

92

12m

27

16m

58

39

6m
llm

37
46

45

6m
7m

35
41

9m

34

6m
7
1
1
18m

38
39
77
64
55

41

1m

38

17m

58

3
4m
15m
7
1

69
66
48
41
68

14m
9m
18m
6m
9m

27
35
56
39
37

16m
13m

59
33

14m

28

14m

29

15m

50

15m

52

14m

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8m

50

8m
6m
10m

52
42
42

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43

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40

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54

Vol. or
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Potassium manganese(II) fluoride,
KMnF3 ............................
Potassium manganese oxide, KMn0 4
Potassium manganese(II) sulfate
(manganolangbeinite), K2Mn2 (S0 4 ) 3
Potassium molybdenum oxide, K2Mo0 4
Potassium molybdenum oxide phos
phate hydrate, K3 (Mo03 ) 12P04 -4H20
Potassium nickel fluoride, KNiF 3
Potassium nickel fluoride, K2NiF 4
Potassium nickel(II) sulfate,
K2Ni2 (S04 ) 3 ......................
Potassium niobium fluoride, K2NbF 7
Potassium niobium oxide, KNb0 3 ....
Potassium nitrate (niter), KN0 3 ...
Potassium nitrite, KN02 ...........
Potassium nitrosyl ruthenium
chloride, K2NORuCl 5 ..............
Potassium oxide, K2 0 ..............
Potassium platinum bromide, K2PtBr6
Potassium platinum chloride,
K2PtCl 6 ..........................
Potassium platinum fluoride, K2 PtF6
Potassium rhenium chloride, K2ReCl 6
Potassium rhenium oxide, KRe0 4 ....
Potassium rubidium chloride,
Potassium rubidium chromium oxide,
KRbCr04 ..........................
Potassium ruthenium chloride,
K2RuCl 6 ..........................
Potassium ruthenium oxide chloride
hydrate, K4Ru2OCl 10 -H20 ..........
Potassium selenate, K2 Se0 4 ........
Potassium selenide, K2Se ..........
Potassium selenium bromide, K2 SeBr6
Potassium silicon fluoride
(hieratite) , K2SiF 6 ..............
Potassium silver cyanide, KAg(CN) 2
Potassium sodium aluminum fluoride
(elpasolite) , K2NaAlF6 ...........
Potassium sodium bromide,
K .2Na .8Br ........................
Potassium sodium bromide,
K. 4Na. 6Br ........................
Potassium sodium bromide,
K. 6Na. 4Br ........................
Potassium sodium bromide,
Potassium sodium chloride,
K. 2Na. 8Cl ................
Potassium sodium chloride,
K. 4Na^ 6 Cl ................
Potassium sodium chloride,
Potassium sodium chloride,
K O8Na * 2 C1 ................
Potassium sodium sulfate,
Potassium sodium sulfate, KNaS0 4 ..
Potassium sodium sulfate
(aphthitalite) , K3Na(S04 ) 2 .......
Potassium strontium chromium oxide,
K2 Sr(Cr0 4 ) 2 ......................
Potassium strontium selenate,
K2 Sr(Se04 ) 2 ......................

6m
7

45
42

6m
15m

43
53

8
7m
10m

43
42
45

6m
8m
17m
3
9m

46
120
62
58
38

16m
10m
8

61
125
40

13m
6
2m
8

34
42
28
41

8m

76

12m

29

10

46

10
9m
10m
8

47
41
126
41

5
8m

50
78

9m

43

12m

62

12m

62

12m

62

12m

62

12m

63

12m

63

12m

63

12m

63

6m
6m

48
50

6m

52

15m

57

15m

58

Potassium strontium sulfate

(kalistrontite), K2 Sr(S0 4 ) 2 ......
Potassium sulfate, K 2 S 20 7 .........
Potassium sulfate, K2 S 2 0 8 .........
Potassium sulfate (arcanite), K2 S04
Potassium sulfide, K2 S ............
Potassium telluride, K2 Te .........
Potassium thiocyanate, KCNS .......
Potassium tin chloride, K2 SnCl 6 ...
Potassium titanium fluoride, K2TiF6
Potassium tungsten oxide, K 2W0 4 ...
Potassium vanadium oxide, KV0 3 ....
Potassium vanadium oxide, KV 308 ...
Potassium zinc bromide hydrate,
KZnBr 3 -2H20 ......................
Potassium zinc fluoride, KZnF 3 ....
Potassium zinc fluoride, K2 ZnF4 ...
Potassium zinc iodide hydrate,
KZnI 3 -2H 20 .......................
Potassium zinc sulfate, K2 Zn2 (S04 ) 3
Potassium zinc sulfate hydrate,
K2 Zn(S0 4 ) 2 -6H2 0 ..................
Potassium zinc vanadium oxide
hydrate, K2 Zn2V lo0 28 -16H20 .......
Potassium zirconium fluoride,
K3 ZrF 7 ...........................
Praseodymium arsenate, PrAs04 .....
Praseodymium arsenide, PrAs .......
Praseodymium chloride, PrCl 3 ......
Praseodymium chloride oxide, PrOCl
Praseodymium fluoride, PrF3 .......
Praseodymium sulfide, PrS .........
Praseodymium vanadium oxide, PrV0 4
Praseodymium zinc, PrZn ...........
Rhenium, Re .......................
Rhodium, Rh .......................
Rhodium vanadium, RhV 3 ............
Rubidium aluminum sulfate
hydrate, RbAl(S0 4 ) 2 -12H2 0 ........
Rubidium amide, RbNH2 .............
Rubidium barium chromium oxide,
Rb 2Ba(Cr0 4 ) 2 .....................
Rubidium barium molybdenum oxide,
Rb 2Ba(Mo0 4 ) 2 .....................
Rubidium bromate, RbBr0 3 ..........
Rubidium bromide, RbBr ............
Rubidium cadmium chloride, high
form, RbCdCl 3 (tetragonal) .......
Rubidium cadmium chloride,
low form, RbCdCl 3 (orthorhombic)
Rubidium cadmium sulfate,
Rb 2 Cd 2 (S0 4 ) 3 .....................
Rubidium calcium chloride, RbCaCl 3
Rubidium calcium fluoride, RbCaF3
Rubidium calcium sulfate,
Rb 2 Ca 2 (S0 4 ) 3 .....................
Rubidium chlorate, RbC103 .........
Rubidium chlorate, RbC104 .........
Rubidium chloride, RbCl ...........
Rubidium chromium oxide, Rb 2 Cr0 4 ..
Rubidium chromium oxide, Rb 2 Cr 2 0 7
Rubidium chromium sulfate hydrate,
RbCr(S0 4 ) 2 -12H2 0 .................
Rubidium cobalt(II) chloride,
RbCoCl 3 ..........................
Rubidium cobalt fluoride, RbCoF 3 ..

93

14m
9m
17m
3
10m
10m
8
6
7
llm
18m
8m

31
99
64
62
127
128
44
38
40
47
57
56

llm
5
10m

104
51
46

llm
6m

107
54

7m

43

3m

45

9
4m
4m
1m
9
5
4m
5m
5m
2
3
6m

46
32
67
39
47
52
67
40
72
13
9
56

6
5m

44
73

14m

32

15m
8
7

59
45
43

5m

43

5m

41

7m
7m
8m

45
47
57

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8
2m
4
3m
15m

48
47
30
41
46
60
47

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8m

57
58

Vol. or
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Rubidium cobalt sulfate,
Rb 2 Co 2 (S04 ) 3 .....................
Rubidium copper chloride hydrate,
Rb 2 CuCl 4 -2H20 ....................
Rubidium copper sulfate hydrate,
Rb 2 Cu(S04 ) 2 *6H20 .................
Rubidium fluoride, RbF ............
Rubidium iodate, RbI03 ............
Rubidium iodate, RbI04 ............
Rubidium iodide, Rbl ..............
Rubidium iron chloride hydrate,
Rb2FeCl 5 -H20 .....................
Rubidium iron sulfate hydrate,
Rb2Fe(S04 ) 2 -6H2 0 .................
Rubidium lead chromium oxide,
Rb 2 Pb(Cr04 ) 2 .....................
Rubidium lead molybdenum oxide,
Rb 2 Pb(Mo0 4 ) 2 .....................
Rubidium magnesium chromium oxide,
Rb 2Mg 2 (Cr0 4 ) 3 ....................
Rubidium magnesium chromium oxide
hydrate, Rb 2 Mg(Cr0 4 ) 2 -6H20 .......
Rubidium magnesium sulfate,
Rb 2Mg2 (S04 ) 3 .....................
Rubidium magnesium sulfate
hydrate, Rb 2Mg(S04 ) 2 *6H20 ........
Rubidium manganese(II) fluoride,
RbMnF 3 ...........................
Rubidium manganese sulfate,
Rb 2Mn2 (S04 ) 3 .....................
Rubidium nickel(II) chloride,
RbNiCl 3 ..........................
Rubidium nickel sulfate,
Rb 2Ni 2 (S04 ) 3 .....................
Rubidium nickel sulfate hydrate,
Rb 2Ni(S04 ) 2 -6H20 .................
Rubidium nitrate, RbN03 (trigonal)
Rubidium platinum chloride,
Rb 2PtCl 6 .........................
Rubidium platinum fluoride, Rb 2PtF6
Rubidium selenate, Rb 2 Se04 ........
Rubidium silicon fluoride, Rb2 SiF 6
Rubidium strontium chloride,
RbSrCl 3 ..........................
Rubidium strontium chromium oxide,
Rb 2 Sr(Cr04 ) 2 .....................
Rubidium strontium sulfate,
Rb 2 Sr(S0 4 ) 2 ......................
Rubidium sulfate, Rb 2 S0 4 ..........
Rubidium tellurium bromide,
Rb 2TeBr6 .........................
Rubidium tellurium chloride,
Rb 2TeCl 6 .........................
Rubidium tin chloride, Rb 2 SnCl 6 ...
Rubidium zinc fluoride, RbZnF 3 ....
Rubidium zinc sulfate hydrate,
Rb 2 Zn(S0 4 ) 2 -6H20 .................
Ruthenium, Ru .....................
Ruthenium titanium, RuTi ..........
Samarium arsenate, SmAs04 .........
Samarium arsenide, SmAs ...........
Samarium chloride, SmCl 3 ..........
Samarium chloride oxide, SmOCl ....
Samarium fluoride, SmF 3 ...........
Samarium oxide, Sm20 3 (cubic) .....
Samarium silver, SmAg .............

8m

59

10m

47

8m
8m
15m
2m
4

61
63
62
31
43

14m

33

8m

64

14m

34

15m

63

8m

66

8m

68

7m

50

8m

70

5m

44

7m

52

6m

58

8m

72

8m
5m

74
45

5
6
9m
6

53
48
44
49

7m

54

15m

64

15m
8

65
48

Samarium tin oxide, Sm2Sn2 0 7 ......

Samarium vanadium oxide, SmV0 4 , ...
Scandium arsenate, ScAs04 .........
Scandium arsenide, ScAs ...........
Scandium boride, ScB 2 .............
Scandium oxide, Sc 203 .............
Scandium phosphate, ScP04 .........
Scandium silicate (thortveitite) ,
Sc 2 Si 2 0 7 .........................
Selenium, Se ......................
Selenium oxide (selenolite) , Se02
Silicon, Si .......................
Silicon, Si (reference standard) . .
Silicon nitride, 0-Si 3N4 ..........
Silicon nitride, p-Si 3N4
(calculated pattern) .............
Silicon oxide (a or low
cristobalite), Si02 (tetragonal)
Silicon oxide (a or low
cristobalite), Si0 2 (tetragonal)
(calculated pattern) .............
Silicon oxide (quartz, low), a-Si02
Silicon oxide, Of or low quartz,
Si02 (hexagonal) .................
Silicon oxide (|3 or high
cristobalite) , Si02 (cubic) ......
Silver, Ag ........................
Silver, Ag (reference standard) ...
Silver arsenate, Ag 3As0 4 ..........
Silver arsenic sulfide,
xanthoconite, Ag3AsS 3 ............
Silver bromate, AgBr0 3 ............
Silver bromide (bromargyrite) , AgBr
Silver carbonate, Ag 2 C03 ..........
Silver chlorate, AgC10 3 ...........
Silver chloride (chlorargyrite) ,
AgCl .............................
Silver chromium oxide, Ag2 Cr04 ....
Silver cyanide , AgCN ..............
Silver fluoride, Ag2F .............
Silver iodate , AgI04 ..............
Silver iodide (iodargyrite) , Agl
(hexagonal) ......................
Silver iodide, y-Agl (cubic) ......
Silver manganese oxide, AgMn04 ....
Silver mercury iodide, 0-Ag2HgI 4 ..
Silver molybdenum oxide, Ag 2Mo04 ..
Silver nitrate, AgN0 3 .............
Silver nitrite, AgN02 .............
Silver oxide, Ag 20 ................
Silver(II) oxide nitrate, Ag 7 0 8N03
Silver phosphate, Ag3P04 ..........
Silver rhenium oxide, AgRe04 ......
Silver selenate, Ag 2 Se04 ..........
Silver sodium chloride,

46
8
6
7m

48
46
57

7m
4
6m
4m
4m
1m
1m
1m
4m
5m

55
5
86
33
68
40
43
41
34
73

Silver sulfate, Ag2S04 ............

Silver sulfide (acanthite) , Ag 2 S ..
Silver terbium, AgTb ..............
Silver thiocyanate, AgCNS .........
Silver thulium, AgTm ..............
Silver yttrium, AgY ...............
Sodium , Na ........................
Sodium aluminum chloride silicate,
sodalite, Na 8Al 6Cl 2 (Si04 ) 6 .......
Sodium aluminum fluoride (chiolite),
Na 5Al 3F 14 ........................
94

8m
5m
4m
4m
17m
3
8

77
47
35
68
66
27
50

7m
5
7m
13m
12m
18m

58
54
60
35
2
59

14m

116

10

48

15m
18m

180
61
24

1
1
8m
5

42
23
2
56

8m
5
4
13m
7

126
57
46
36
44

4
12m
9m
5m
9

44
30
48
53
49

8
9
7m
17m
7
5
5
1m
4
5
8
2m

51
48
155
67
45
59
60
45
61
62
53
32

8m
13ro
10

9m

79
37
51
74
62
74
75
105

7m

158

16m

63

5m

16m
5m
5m

Vol. or
Sec. Page

Vol. or
Sec. Page
18m
Sodium aluminum oxide, p-NaA102 ..,
Sodium aluminum sulfate hydrate
15m
(soda alum), NaAl(S04 ) 2 -12H20 ....
Sodium azide, a-NaN3 , at -90 to
8m
-100 C ..........................
8m
Sodium azide, p-NaN3 ..............
Sodium beryllium calcium aluminum
fluoride oxide silicate, meliphanite,
(Ft). 7 5^6. 25)

....................

Sodium beryllium calcium fluoride

silicate , leucophanite ,
NaBeCaFSi 2 06 ....................
Sodium borate, NaBQ2 .............
Sodium borate, Na 2B407 ...........
Sodium borate, Na 2B80 13 ..........
Sodium borate hydroxide hydrate
(borax), Na 2B40 5 (OH) 4 -8H20 ......
Sodium boron hydride , NaBfi4 ......
Sodium bromate , NaBr03 ...........
Sodium bromide , NaBr .............
Sodium bromide chloride,
Sodium bromide chloride,
NaBr. 67 Cl. 33 .....................
Sodium calcium aluminum fluoride
hydrate, thomsenolite,
NaCaAlF6 -H2 0 .....................
Sodium calcium carbonate hydrate,
pirssonite, Na 2 Ca(C03 ) 2 *2H20 .....
Sodium calcium phosphate, p-NaCaP04
Sodium calcium silicate, Na 2 CaSi0 4
Sodium calcium sulfate (glauberite) ,
Na2 Ca(S04 ) 2 ......................
Sodium carbonate hydrate (thermonatrite) , Na2 C03 *H20 .............
Sodium carbonate sulfate, Na 4C03S04
Sodium carbonate sulfate (burkeite),

Sodium hydrogen fluoride , NaHF2 ...

Sodium hydrogen phosphate,
Na 3H(P03 ) 4 .......................
Sodium hydrogen silicate hydrate,
Na 2H2 Si04 *4H20 ...................
Sodium hydrogen sulfate hydrate,
NaHS04 -H2 0 .......................
Sodium hydroxide , NaOH at 300 C . .
Sodium iodate , NaI0 3 ..............
Sodium iodate , Nal0 4 ..............
Sodium iodate hydrate, NaI03 *H2 0 ..
Sodium iodide , Nal ................
Sodium iron fluoride, Na 3FeF 6 .....
Sodium lanthanum fluoride silicate,
(Na2La 8 )F2 (Si0 4 ) 6 ................
Sodium lanthanum molybdenum oxide,
NaLa(Mo04 ) 2 ......................
Sodium magnesium aluminum boron
hydroxide silicate, dravite,
NaMg 3Al6B3 (OH) 4Si 6027 ............
Sodium magnesium carbonate
(eitelite), Na 2Mg(C0 3 ) 2 ..........
Sodium magnesium sulfate
(vanthof f ite) , Na6Mg(S0 4 ) 4 .......
Sodium magnesium sulfate hydrate,
bloedite, Na 2Mg(S04 ) 2 -4H20 .......
Sodium magnesium sulfate hydrate
(loeweite), Na 12Mg 7 (S0 4 ) 13 -15H2 0
Sodium manganese (II) fluoride,
NaMnF3 ...........................
Sodium manganese sulfate hydrate,
Na l2Mn7 (S04 ) 13 -15H2 0 .............
Sodium mercury (II) chloride hydrate,
NaHgCl 3 -2H20 .....................
Sodium molybdenum oxide , Na 2Mo0 4 . .
Sodium molybdenum oxide, Na 2Mo 20 7
Sodium neodymium fluoride silicate,
(Na2Nd s )F2 (Si04 ) 6 ................
Sodium nickel (II) sulfate hydrate,
Na 2Ni(S04 ) 2 -4H20 .................
Sodium niobium oxide (lueshite),
NaNb03 ...........................
Sodium nitrate (soda niter) , NaN0 3
Sodium nitrite, NaN02 .............
Sodium nitrosyl iron cyanide
hydrate, Na 2 (NO)Fe(CN) 5 -2H2 0 .....
Sodium oxide , Na 2 0 ................
Sodium phosphate, Na 3P 30 9 .........
Sodium phosphate hydrate,
Na 3P 309 -H20 ......................
Sodium phosphate hydrate,
a-Na 4P40 12 '4H20 (monoclinic) .....
Sodium phosphate hydrate,
P~Na 4P40 12 4H20 (triclinic) ......
Sodium phosphate hydrate,

62
68
129
130

8m

135

8m
18m
16m
7m

138
63
64
160

16m
9
5
3

66
51
65
47

llm

49

llm

50

8m

132

9m
15m
10m

106
69
48

6m

59

8
llm

54
51

llm

52

llm

53

llm
3

54
51

Sodium carbonate sulfate,

Sodium carbonate sulfate,
Nae(C0 3 ) 2 S0 4 .....................
Sodium chlorate , NaC103 ...........
Sodium chlorate, NaC10 4
(orthorhombic) ...................
Sodium chlorate hydrate,
NaC104 -H2 0 .......................
Sodium chloride (halite), NaCl ....
Sodium chromium oxide, Na 2 Cr0 4 ....
Sodium chromium oxide hydrate,
Na2 Cr04 *4H20 .....................
Sodium chromium oxide hydrate,
Na 2 Cr20 7 '2H20 ....................
Sodium chromium oxide sulfate,
Na 4 (Cr04 )(S0 4 ) ...................
Sodium cobalt nitrite, Na 3Co(N0 2 ) 6
Sodium cobalt (II) sulfate hydrate,
Na 2 Co(S0 4 ) 2 -4H20 .................
Sodium cyanate , NaCNO .............
Sodium cyanide, NaCN (cubic)
Sodium cyanide, NaCN (orthorhombic)
at 6 C ..........................
Sodium fluoride (villiaumite) , NaF
Sodium hydrogen carbonate hydrate,
trona, Na3H(C03 ) 2 -2H20 ...........

49
17m
2
9m

68
41
48

9m

50

7m

62

llm
15m

55
70

6m
2m
1

61
33
78

1
1

79
63

15m

71

Sodium praseodymium fluoride

silicate, (Na 2Pr 8 )F2 (Si04 ) 6 ......
Sodium selenate, Na 2 Se04 ..........
Sodium selenide, Na 2 Se ............
Sodium silicate, a(III), Na 2 Si 20 5 .
Sodium silicate, p-Na 2 Si 20 5 .......
Sodium silicon fluoride
(malladrite) , Na 2 SiF6 ............
Sodium sulfate, Na 2 S04 ............
Sodium sulfate (thenardite) , Na 2 S04

95

63

10m

130

7m

163

9m
4m
7
7
17m
4
9m

52
69
47
48
73
31
54

7m

64

10m

49

3m

47

llm

56

15m

72

6m

63

14m

35

6m

65

14m

37

6m
1m
9m

66
46
110

7m

66

6m

68

18m
6
4

64
50
62

18m
10m
3m

66
134
49

3m

50

13m

39

2m

35

5m

54

7m
9m
10m
8m
10m

68
55
135
141
136

16m
llm
2

68
57
59

Vol. or
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Vol. or
Sec. Page
Sodium sulfate hydrate,
Na 2 S 20 3 -5H2 0 .....................
Sodium sulfide, Na 2 S ..............
Sodium sulfite, Na 2 S03 ............
Sodium telluride, Na 2 Te ...........
Sodium tin fluoride, NaSn2F 5 ......
Sodium titanium oxide, Na 2 Ti 30 7 ...
Sodium tungsten oxide, Na 2W0 4 .....
Sodium tungsten(VI) oxide hydrate,
Na 2W04 -2H20 ......................
Sodium vanadium oxide, cr~NaV03 ....
Sodium vanadium oxide, p-NaVQ3 ....
Sodium zinc fluoride, NaZnF3 ......
Sodium zinc sulfate hydrate,
Na 2 Zn(S04 ) 2 -4H2 0 .................
Sodium zirconium fluoride,
Na 7 Zr 6F31 ........................
Strontium aluminum hydroxide,
Sr3Al 2 (OH) 12 .....................
Strontium aluminum oxide, Sr 3Al 206
Strontium arsenate, Sr 3 (As04 ) 2 ....
Strontium azide, Sr(N3 ) 2 ..........
Strontium borate, SrB2 04 ..........
Strontium borate, SrB40 7 ..........
Strontium bromate hydrate,
Sr(Br0 3 ) 2 -H2 0 ....................
Strontium bromide fluoride, SrBrF
Strontium bromide hydrate,
SrBr2 6H2 0 .......................
Strontium carbonate (strontianite),
SrC0 3 ............................
Strontium chloride, SrCl 2 .........
Strontium chloride fluoride, SrCIF
Strontium chloride hydrate,
SrCl 2 -2H 2 0 .......................
Strontium chloride hydrate,
SrCl 2 -6H2 0 .......................
Strontium chloride hydroxide
phosphate, Sr 5Cl >65 (OH), 35 (P04 ) 3
Strontium chromium oxide, SrCr2 0 7
Strontium chromium oxide, Sr 2 Cr0 4
Strontium chromium oxide hydrate,
SrCr2 0 7 -3H 2 0 .....................
Strontium fluoride, SrF2 ..........
Strontium hydroxide, Sr(OH) 2 ......
Strontium hydroxide hydrate,
Sr(OH) 2 *H2 0 ......................
Strontium hydroxide hydrate,
Sr(OH) 2 -8H20 .....................
Strontium indium hydroxide,
Sr3 In2 (OH) 12 .....................
Strontium iodide hydrate,
SrI 2 *6H20 ........................
Strontium iron oxide, SrFe 12Oj9 ...
Strontium manganese oxide,
SrMn0 3 (cubic) ...................
Strontium manganese oxide,
SrMn03 (hexagonal) ...............
Strontium molybdenum oxide, SrMo04
Strontium nitrate, Sr(N03 ) 2 .......
Strontium oxide, SrO ..............
Strontium oxide, Sr02 .............
Strontium oxide hydrate, Sr02 *8H20
Strontium phosphate, cr-Sr 2 P20 7 ....
Strontium phosphate, cr-Sr3(P0 4 ) 2 . .
Strontium scandium oxide hydrate,
Sr 3Sc 206 -6H20 ....................

17m
10m
3
10m
7m
16m
1m

74
140
60
141
166
69
47

2m
18m
18m
6m

33
67
68
74

6m

72

8m

144

10m
10m
2m
8m
3m
4m

50
52
36
146
53
36

17m
10m

76
54

Strontium silicate, Sr3 Si0 5 .......

Strontium sulfate (celestite), SrS04
Strontium sulfide, SrS ............
Strontium telluride, SrTe .........
Strontium tin oxide, SrSn03 .......
Strontium titanium oxide, SrTi03 ..
Strontium tungsten oxide, SrW0 4 ...
Strontium tungsten oxide, Sr2W0 5 ..
Strontium vanadium oxide, Sr3 (V0 4 ) 2
Strontium zirconium oxide, SrZr03 .
Sulfamic acid, H2NS0 3H ............
Sulfur, S (orthorhombic) ..........
Tantalum, Ta ......................
Tantalum silicide, TaSi 2 ..........
Tellurium, Te .....................
Tellurium(IV) oxide (paratellurite),
Te02 (tetragonal) ................
Tellurium(IV) oxide, paratellurite,
Te02 (tetragonal) ................
Tellurium(IV) oxide, tellurite,
Te0 2 (orthorhombic) ..............
Terbium arsenate, TbAs04 ..........
Terbium arsenide, TbAs ............
Terbium nitride, TbN ..............
Terbium phosphide, TbP ............
Terbium selenide, TbSe ............
Terbium sulfide, TbS ..............
Terbium telluride, TbTe ...........
Terbium vanadium oxide, TbV04 .....
Thallium, a-Tl ....................
Thallium aluminum sulfate hydrate,
T1A1(S04 ) 2 -12H 20 .................
Thallium(I) arsenate, Tl 3As0 4 .....
Thallium azide, T1N 3 ..............
Thallium(I) bromate, TlBr03 .......
Thallium bromide, TIBr ............
Thallium cadmium sulfate,
Tl 2 Cd 2 (S0 4 ) 3 .....................
Thallium(I) chlorate, T1C104 ......
Thallium(I) chlorate, T1C10 3 ......
Thallium(I) chloride, T1C1 ........
Thallium chromium oxide, Tl 2 Cr04 ..
Thallium chromium sulfate hydrate,
TlCr(S04 ) 2 -12H20 .................
Thallium cobalt sulfate,
Tl 2 Co 2 (S04 ) 3 .....................
Thallium cobalt sulfate hydrate,
Tl 2 Co(S0 4 ) 2 *6H20 .................
Thallium copper sulfate hydrate,
Tl 2Cu(S04 ) 2 -6H20 .................
Thallium fluoride, T1F ............
Thallium gallium sulfate hydrate,
TlGa(S04 ) 2 -12H20 .................
Thallium(I) iodate, T1I03 .........
Thallium(I) iodide, Til
(orthorhombic) ...................
Thallium iron sulfate hydrate,
Tl 2Fe(S04 ) 2 -6H20 .................
Thallium lead sulfate,
Tl 2Pb(S04 ) 2 ......................
Thallium magnesium chromium oxide,
Tl 2Mg2 (Cr04 ) 3 ....................
Thallium magnesium sulfate hydrate,
Tl 2Mg(S04 ) 2 -6H20 .................
Thallium manganese sulfate,
Tl 2Mn2 (S0 4 ) 3 .....................
Thallium nickel sulfate hydrate,
Tl 2Ni(S04 ) 2 -6H2 0 .................

60
3
4
10m

56
40
55

lira

58

58

llm
17m
16m

60
77
71

17m
5
13m

79
67
41

13m

42

13m

43

6m

76

8
18m

58
69

10m

56

10m
7
12m
5
6
llm
llm
llm

58
50
31
68
52
61
62
64

6m

78

96

13m
2
7
4m
8m
3
7
12m
15m
9
7
9
1
8
1

44
61
52
69
80
44
53
32
73
51
54
54
29
59
26

56

10

55

9
3m
5m
4m
5m
5m
5m
5m
5m
16m

57
54
75
70
76
76
77
77
56
73

6
2m
8m
8
7

53
37
82
60
57

8m
2m
8
4
3m

83
38
61
51
54

55

8m

85

7m

70

7m
16ro

72
74

6
8

57
62

53

8m

87

15m

74

8m

89

7m

74

7m

76

7m

78

Vol. or
Sec. Page

Vol. or
Sec. Page
Thalliura(I) nitrate, T1N03 ........
Thallium oxide (avicennite), T1 20 3
Thallium(III) oxide, T1 20 3 .........
Thallium(I) phosphate, T1 3P04 .....
ThalliuiD(III) phosphate, T1P04 ....
Thallium platinum chloride,
Tl 2PtCl 6 .........................
Thallium silicon fluoride, Tl 2 SiF6
Thallium strontium sulfate,
Tl 2Sr(S04 ) 2 ......................
Thallium(I) sulfate, T1 2 S04 .......
Thallium(I) thiocyanate, TICKS ....
Thallium tin chloride, Tl 2SnCl 6 ...
Thallium(I) tungsten oxide, T1 2W0 4
Thallium zinc sulfate hydrate,
Tl 2 Zn(S04 ) 2 -6H20 .................
Thorium arsenide, ThAs ............
Thorium carbide, ThC ..............
Thorium nitrate hydrate,
Th(N0 3 ) 4 -5H20 ...................
Thorium oxide (thorianite), Th02 ..
Thulium arsenate, TmAs04 ..........
Thulium arsenide, TmAs ............
Thulium nitride, TmN ..............
Thulium oxide, Tm203 ..............
Thulium telluride, TmTe ...........
Thulium vanadium oxide, TmV0 4 .....
Tin, Cf-Sn (cubic) .................
Tin, 0-Sn (tetragonal) ............
Tin arsenide, SnAs ................
Tin arsenide, Sn3>8As 3 ............
Tin chloride hydrate, SnCl 2 -2H2 0 ..
Tin(II) fluoride, SnF2 ............
Tin hydrogen phosphate, SnHP04 ....
Tin(IV) iodide, SnI 4 ..............
Tin(II) oxide (romarchite), SnO ...
Tin(IV) oxide (cassiterite), Sn02
Tin sulfide (berndtite), p-SnS 2 ...
Tin(II) telluride, SnTe ...........
Titanium, Ti ......................
Titanium carbide, TiC .............
Titanium(III) oxide, Ti0 1<515 .....
Titanium oxide (anatase), Ti02 ....
Titanium oxide, brookite, Ti02
(orthorhombic) ...................
Titanium oxide (rutile), Ti02 .....
Titanium silicide, Ti 5Si 3 .........
Titanium sulfide, TiS 2 ............
Titanium sulfide, Ti 2S ............
Tungsten, W .......................
Tungsten, W (reference standard) ..
Tungsten oxide, W0 2 ...............
Tungsten sulfide (tungstenite), WS 2
Uranium nitride, UN ...............
Uranium oxide, UO .................
Uranium oxide (uraninite), U02 ....
Uranium selenide, USe .............
Uranium telluride, UTe ............
Vanadium, V .......................
Vanadium(V) oxide (shcherbinaite),
V20 5 .............................
Vanadium sulfide, a-V3S ...........
Vanadium sulfide, p-V3S ...........
Ytterbium arsenate, YbAs0 4 ........
Ytterbium arsenide, YbAs ..........
Ytterbium nitride, YbN ............

6
16m
2
7
7

58
77
28
58
59

5
6

70
56

15m
6
8
6
1m

75
59
63
54
48

7m
4m
18m

80
70
71

18m
1
3m
4m
4m
9
4m
5m
2
1
4m
15m
17m
3m
13m
5
4
1
9m
7
3
18m
9
7m

72
57
56
71
71
58
72
57
12
24
37
76
84
51
46
71
28
54
57
61
4
73
59
82

3m
7m
8
4m
8m
1
8m
18m
8
18m
5m
2
5m
4m
9m

57
83
64
72
149
28
2
74
65
75
78
33
78
73
58

8
14m
14m
4m
4m
4m

66
118
120
38
73
74

Ytterbium oxide, Yb 2 0 3 ............

Ytterbium selenide, YbSe ..........
Ytterbium telluride, YbTe .........
Ytterbium(III) vanadium oxide, YbV04
Yttrium, Y ........................
Yttrium arsenate, YAs0 4 ...........
Yttrium arsenide, YAs .............
Yttrium chloride oxide, YC10.......
Yttrium oxide, Y20 3 ...............
Yttrium phosphate (xenotime), YP04
Yttrium sulfide, YS ...............
Yttrium telluride, YTe ............
Yttrium titanium oxide, Y2 Ti0 5 ....
Yttrium vanadium oxide, YV0 4 ......
Zinc, Zn ..........................
Zinc aluminum oxide (gahnite),
ZnAl 20 4 ..........................
Zinc ammine bromide, Zn(NH3 ) 2 Br 2
Zinc ammine chloride, Zn(NH3 ) 2 Cl 2
Zinc antimony oxide, ZnSb 2 04 ......
Zinc borate, Zn4B 60 13 .............
Zinc carbonate, smithsonite, ZnC0 3
Zinc chlorate hydrate,
Zn(C10 4 ) 2 -6H 20 .... .'..............
Zinc chromium oxide, ZnCr 204 ......
Zinc cobalt oxide, ZnCo2 0 4 ........
Zinc cyanide, Zn(CN) 2 .............
Zinc fluoride, ZnF 2 ...............
Zinc fluoride hydrate, ZnF2 '4H20 ..
Zinc germanium oxide, Zn2 Ge0 4 .....
Zinc hydroxide silicate hydrate,
hemimorphite, Zn4 (OH) 2 Si 2 0 7 -HgO ..
Zinc iodide, ZnI 2 .................
Zinc iron oxide (franklinite),
ZnFe 2 0 4 ..........................
Zinc manganese oxide (hetaerolite),
ZnMn20 4 ..........................
Zinc molybdenum oxide, Zn 2Mo 30 8 ...
Zinc nitrate hydrate,
a-Zn(N03 ) 2 *6H2 0 ..................
Zinc oxide (zincite), ZnO .........
Zinc phosphate, a-Zn3 (P04 ) 2 .......
Zinc phosphate, p-Zn3 (P0 4 ) 2 .......
Zinc phosphate, Y-Zn3 (P0 4 ) 2 .......
Zinc phosphate hydrate (hopeite),
Zn3 (P0 4 ) 2 -4H20 ...................
Zinc selenide, ZnSe ...............
Zinc silicate (willemite), Zn2 Si0 4
Zinc silicon fluoride hydrate,
ZnSiF6 -6H20 ......................
Zinc sulfate (zinkosite), ZnS0 4 ...
Zinc sulfate hydrate (goslarite),
ZnS<V7H20 .......................
Zinc sulfide (wurtzite), or-ZnS
(hexagonal) ......................
Zinc sulfide (sphaelerite), p-ZnS
(cubic) ..........................
Zinc telluride, ZnTe ..............
Zinc tin oxide, Zn2 Sn0 4 ...........
Zinc titanium oxide, ZnTi03 .......
Zinc titanium oxide, Zn2Ti0 4 ......
Zinc tungsten oxide (sanmartinite),
ZnW04 ............................
Zirconium, Of-Zr ...................
Zirconium fluoride, ZrF4 ..........
Zirconium hydride, ZrH2 ...........

97

6m
5m
5m
5m
18m
2m
4m
1m
3
8
5m
4m
llm
5m
1

80
79
79
58
77
39
74
51
28
67
80
75
113
59
16

2
llm
10m
4m
13m
8

38
68
59
39
48
69

16m
9m
10m
5
6
llm
10

79
59
60
73
60
69
56

2
9

62
60

9m

60

10m
7m

61
173

12m
2
16m
l6ra
16m

36
25
80
81
83

16m
3
7

85
23
62

8
7

70
64

71

14

2
3m
10m
13m
12m

16
58
62
49
37

2m
2
18m
5m

40
11
79
60

Vol. or
Sec. Page
Zirconium iodate, Zr(I03 ) 4 ........
Zirconium nitride, ZrN ............
Zirconium oxide, ZrO ..............
Zirconium oxide chloride hydrate,
ZrOCl 2 *8H20 ......................
Zirconium phosphide, ZrP ..........
Zirconium silicate, zircon, ZrSi04
Zirconium silicide, ZrSi 2 .........
Zirconium sulfate hydrate
(zircosulfate), Zr(S04 ) 2 -4H20 ..,.

1m
5m
5m

51
80
81

18m
4m
4
17m

81
75
68
86

66

98

CUMULATIVE ORGANIC FORMULA INDEX

CHI 3
CH4N20
CH4N2S
CHSN02
CH5N3 -HC1
CH5N3S
C 2Ag204
C2Fe04 -2H20
C 2HNa0 4 H2 0
C 2H2 Ca04
C 2H204 -2H20
C 2H204Pb
C 2H204Sr
C2H204Sr-2H20
C 2H3K04
C 2H3Na02 -3H20
C2H5N02
C 2H7N02
C 2H8N204 *H20
C2K204 -H20
C2 Li 204
C2Na 204
C 204Rb 2 *H202
C 3H7N02
C 3H7N02S
C3H10C1N
C 4H3K08 -2H2 0
C4H4Ca05 -2H20
C 4H4KNa06 -4H20
C 4H4N08Y-H20
C4H4Na 206 -2H20
C 4H6Co04 -4H20
C 4H6Hg2 04
C 4H6Ni04 *4H20
C4H604Zn*2H20
C 4H606
C 4H606U*2H20
C 4H7N30
C4H8N808
C 4H8N808
C 4H8N808
C 4H8N80 8
C 4H22B20

C 5H4N403
C 5H7CuN04 -2H20
C 5H7N04Zn-2H20
C 5H8NNa04 *H20
C 5H 12 0 4
C6H3N 30 7
C6H5N02
C6H602
C 6H8Cl 2N4Zn
C 6H8N2 -HC1
C 6H806
C 6H 12N4
C 6H 1206
C6H 1206
C 6H lsHo0 12 S 3 -9H20

lodoform
Urea
Thiourea
Ammonium formate
Guanidinium chloride
Thiosemicarbazide
Silver oxalate
Iron oxalate hydrate (humboldtine)
Sodium hydrogen oxalate hydrate
Calcium formate
Oxalic acid hydrate
Lead formate
Strontium formate
Strontium formate hydrate (orthorhombic)
Potassium formate-formic acid complex
Sodium acetate hydrate
Glyoxime
Of-Glycine
Ammonium acetate
Ammonium oxalate hydrate (oxammite)
Potassium oxalate hydrate
Lithium oxalate
Sodium oxalate
Rubidium oxalate perhydrate
L-Alanine
L-Cysteine
Trimethylammonium chloride
Potassium hydrogen oxalate hydrate
Calcium malate hydrate
Potassium sodium tartrate hydrate
Ammonium yttrium oxalate hydrate
Sodium D-tartrate hydrate
Cobalt acetate hydrate
Mercury acetate
Nickel acetate hydrate
Zinc acetate hydrate
D-Tartaric acid
Uranyl acetate hydrate
Creatinine
cr-HMX
p-HMX
Octahydro-1,3,5,7-tetranitro1,3,5,7-tetrazocine, alphaOctahydro-1,3,5, 7- tetranitro1,3,5,7-tetrazocine, betabis-(o-Dodecacarborane)
Uric acid, phase 1 (calc. pattern)
Uric acid, phase 1
Copper glutamate hydrate
Zinc glutamate hydrate
Sodium glutamate hydrate
p-L-Glutamic acid
Pentaerythritol
Picric acid
Nicotinic acid
Y-Hyd roquinone
Zinc diimidazole chloride
Phenylhydrazine hydrochloride
L-Ascorbic acid
Hexamethylenetetramine
Dextrose
cr-D-Glucose
Holmium ethylsulfate hydrate

99

Vol. or
Sec.

Page

18m
7
17m
llm
17m
17m
9m
10m
17m
8
16m
8
8
8
9m
15m
8m
17m
8m
7
9m
10m
6m
9m
8m
llm
9m
17m
10m
15m
8m
llm
12m
17m
13m
18m
7m
18m
15m
llm
llm

34
61
83
9
35
81
47
24
72
16
55
30
55
56
93
66
102
34
95
5
39
34
70
102
93
86
113
60
76
55
97
110
19
51
31
78
168
76
31
100
102

llm

100

llm
6m
8m
16m
7m
7m
17m
17m
17m
16m
16m
8m
7m
17m
8m
17m
llm

102
7
154
78
110
170
70
32
55
56
54
107
123
56
99
37
28
28
18

llm
1m

C 6H 15Nd0 12 S3-9H20
C 7H 5Br0 2
C 7H 5C10 2
C 7H 5F0 2
C 7H9N0 2 S
C 7H 12 0 4
C 8H4Hg 20 4
C 8H 5K0 4
C 8H 504T1
C 8H 7N 30 7
C 8H 803
C 8H9NO
C 8H9NO

C 8H 12N20 3
C 10H 16 C1NO
CnH!6N 20 3
C 11 H 18N2 3

*2HC1
Ci 2H 12N20 3
C 12H 16Cl 2 CuN8
C 12H 16 Cl 2N8Ni

C 12H220 11
C 13H21 C1N202
C 13H 21N2 04P

C 16H 13C1N 20
Cie^isN
C 17H 19C1N 2 S
Ci 7H2 oClN03 -3H20
C 17H22 C1N04
C 17H26 C1N
C 18H22 BrN0 3 -2H 2 0

C 19H22 C1N04 -2H20

C 2 ()H2 6 ^ 1NO 3
C 20H 34

C 21H23 C1FN02
c 2iHao 2
C 22H25 C1N2 OS-2H 2 0
C 22H 3 Q0 4
C 24H32N2 02 Pd

Neodymium ethylsulfate hydrate

o-Bromobenzoic acid
m-Chlorobenzoic acid
p-Fluorobenzoic acid
Methyl sulfonanilide
Pimelic acid
Mercury o-phthalate
Potassium hydrogen o-phthalate
Thallium hydrogen phthalate
2,4,6-Trinitrophenetole
p-Anisic acid
Acetanilide (calc. pattern)
Acetanilide
Sodium barbital
Barbital, form I
Barbital, form II
Barbital, form IV
Metharbital
Allobarbital
(-)-Ephedrine hydrochloride
Vinbarbital, form I
Amobarbital, form I
Amobarbital, form II
Azobenzene
Benzidine hydrochloride
Phenobarbital, form III
Copper tetrapyrazole chloride
Nickel tetrapyrazole chloride
Copper tetraimidazole nitrate
(N,N)-Dimethyltryptamine
Bufotenine
Psilocin
Sucrose
Hexamethylenediammonium adipate
Procaine hydrochloride
Psilocybin methanolate
4-Acetyl-2'-fluorodiphenyl
Methapyrilene hydrochloride
p-Carbamazepine
Dibenzoylmethane
Diazepam
N-Phenyl-2-naphthylamine
Chlorpromazine
Morphine hydrochloride hydrate
L-Cocaine hydrochloride
Phencyclidine hydrochloride
Codeine hydrobromide hydrate
Cadmium hexaimidazole nitrate
Nickel hexaimidazole nitrate
(+)-Amphetamine sulfate
Naloxone hydrochloride hydrate
Cinchonine
Imipramine hydrochloride
Benactyzine hydrochloride
a-Dihydrophyllocladene, hartite
(or bombiccite)
Haloperidol
Cannabidiol
Clopenthixol hydrate
A9 -Tetrahydrocannabinolic acid B
Palladium bis-(N-isopropyl-3ethylsalicylaldiminate)
N-Methylphenazinium-7,7,8,8tetracyanoquinodimethanide
Reserpine

100

Vol. or
Sec.

Page

9
16m
16m
16m
9m
7m
10m
4m
16m
8m
16m
14m
16m
16m
15m
15m
15m
15m
14m
16m
16m
15m
15m
7m
18m
16m
8m
8m
13m
14m
15m
16m
lira
7m
16m
16m
8m
14m
18m
7m
14m
6m
14m
16m
16m
16m
16m
8m
7m
15m
16m
17m
16m
16m

41
22
30
36
78
153
113
30
75
152
11
38
7
157
126
128
130
177
41
124
162
114
117
86
14
144
31
44
24
109
133
152
66
121
149
154
91
112
24
115
106
29
60
133
114
141
117
23
27
119
136
26
129
92

16m
16m
16m
17m
16m

122
127
111
28
160

7m

144

7m
8m

146
123

CUMULATIVE ORGANIC NAME INDEX

Acetanilide
Acetanilide
4-Acetyl-2'-fluorodiphenyl
Alanine, LAllobarbital
Amobarbital, form I
Amobarbital, form II
Ammonium acetate
Ammonium formate
Ammonium oxalate hydrate (oxammite)
Ammonium yttrium oxalate hydrate
Amphetamine sulfate, (+)p-Anisic acid
Ascorbic acid, LAzobenzene
Barbital, form I
Barbital, form II
Barbital, form IV
Benactyzine hydrochloride
Benzidine hydrochloride
o-Bromobenzoic acid
Bufotenine
Cadmium hexaimidazole nitrate
Calcium formate
Calcium malate hydrate
Cannabidiol
Carbamazepine, pm-Chlorobenzoic acid
Chlorpromazine
Cinchonine
Clopenthixol hydrate
Cobalt acetate hydrate
Cocaine hydrochloride, LCodeine hydrobromide hydrate
Copper glutamate hydrate
Copper tetraimidazole nitrate
Copper tetrapyrazole chloride
Creatinine
Cysteine, LDextrose
Diazepam
Dibenzoylmethane
Dihydrophyllocladene, Of-, hartite (or
bombiccite)
(N,N)-Dimethyltryptamine
bis-(o-Dodecacarborane)
Ephedrine hydrochloride, (-)p-Fluorobenzoic acid
Glucose, (Y-DGlutamic acid, p-LGlycine, OfGlyoxime
Guanidinium chloride
Haloperidol
Hexamethylenediammonium adipate
Hexamethylenetetramine
HMX, aHMX, pHo1miurn ethylsulfate hydrate
Hydroquinone, YImipramine hydrochloride
lodoform

C 8H9NO (calc. pattern)

C 8H9NO
Ci 4HnFO
CH3 CHNH2 C0 2H
C 11H 18N2 03
C 11 H 18N203
NH4 -CH3 C0 2
NH4HC0 2
(NH4 ) 2 C 2 0 4 H20
NH4Y(C 2 0 4 ) 2 *H20
C 8H 803
C 6H 5NNC 6H 5
C 8H 12 N 2 0 3

C 20H26 C1N03
Cj 2H^ 2N2 *2HC1
C 7H 5Br0 2
C 12H 16N2 0
Cd(C 3H4N 2 ) 6 (N0 3 ) 2
Ca(HC02 ) 2
Ca(0 2 C) 2 (CH2 CHOH)-2H2 0
C 7H5 C10 2
C i 7 H jgCl

C 22H25 C1N2 OS-2H2 0

Co(C 2H3 02 ) 2 -4H2 0
C i 7n22 ClN04

C 18H22 BrN03 -2H2 0

Cu(0 2 C) 2 (H2NCHCH2 CH2 )-2H 2 0
Cu(C 3H4N2 ) 4 (N03 ) 2

Cu(C 3H4N2 ) 4 Cl 2
C 4H 7N 3 0
HSCH2 -CH(NH 2 )-COOH
CeHi 20 6
C 16H 13 C1N2 0
(C 6H 5CO) 2 CH2
C 12 H 16 N 2

C 4B2 QH 22
C 10H 16 C1NO
C 7H 5F0 2
c eHi 2 0 6
C 5H9N0 4
C 2H 5N0 2
H2 C 2 (NOH) 2
CH 5N 3 -HC1
(CH2 ) 4 (C0 2H3N) 2 (CH2 ) 6
C 4H8N80 8
C4H 8N 80 8
Ho[(C 2H 5 )S04 ] 3 -9H20
HOC 6H4 OH
CHI 3

101

Vol. or
Sec.

Page

14m
16m
8m
8m
14m
15m
15m
8m
llm
7
8m
15m
16m
8m
7m
15m
15m
15m
16m
18m
16m
15m
8m
8
10m
16m
18m
16m
14m
17m
17m
12m
16m
16m
7m
13m
8m
15m
llm
llm
14m
7m

38
7
91
93
41
114
117
95
9
5
97
119
11
99
86
126
128
130
92
14
22
133
23
16
76
111
24
30
60
26
28
19
114
117
110
24
31
31
86
28
106
115

16m
14m
6m
16m
16m
llm
17m
17m
8m
17m
16m
7m
17m
llm
llm
1m
8m
16m
18m

122
109
7
124
36
28
32
34
102
35
127
121
37
100
102
18
107
129
34

Iron oxalate hydrate (hmnboldtine)

Lead formate
Lithium oxalate
Mercury acetate
Mercury o-phthalate
Methapyrilene hydrochloride
Metharbital
Methyl sulfonanilide
N-Methylphenazinium-7,7,8,8-tetracyanoquinodimethanide
Morphine hydrochloride hydrate
Naloxone hydrochloride hydrate
2-Naphthylamine, N-phenylNeodymium ethylsulfate hydrate
Nickel acetate hydrate
Nickel hexaimidazole nitrate
Nickel tetrapyrazole chloride
Nicotinic acid
Octahydro-1,3,5,7-tetranitro1,3,5,7-tetrazocine (a-HMX)
Octahydro-1,3,5,7-tetranitro1,3,5,7-tetrazocine (0-HMX)
Oxalic acid hydrate
Palladium bis-(N-isopropyl-3ethylsalicylaldiminate)
Pentaerythritol
Phencyclidine hydrochloride
Phenobarbital, form III
Phenylhydrazine hydrochloride
Picric acid
Pimelic acid
Potassium formate-formic acid complex
Potassium hydrogen o-phthalate
Potassium hydrogen oxalate hydrate
Potassium oxalate hydrate
Potassium oxalate perhydrate
Potassium sodium tartrate hydrate
Procaine hydrochloride
Psilocin
Psilocybin methanolate
Reserpine
Rubidium oxalate perhydrate
Silver oxalate
Sodium acetate hydrate
Sodium barbital
Sodium glutamate hydrate
Sodium hydrogen oxalate hydrate
Sodium oxalate
Sodium D-tartrate hydrate
Strontium formate
Strontium formate hydrate
Sucrose
Tartaric acid, DA9 -Tetrahydrocannabinolic acid B
Thallium hydrogen phthalate
Thiosemicarbazide
Thiourea
Trimethy1ammonium chloride
2,4,6-Trinitrophenetole
Uranyl acetate hydrate
Urea
Uric acid, phase 1, (calc. pattern)
Uric acid (phase 1)
Vinbarbital, form I
Zinc acetate hydrate
Zinc diimidazole chloride
Zinc glutamate hydrate,

Vol. or
Sec.

Page

10m
8
10m
17m
10m
14m
15m
9m

24
30
34
51
113
112
177
78

7m
16m
16m
6m
9
13m
7m
8m
16m

146
133
136
29
41
31
27
44
54

llm

100

C 4H8N8 08
C 2H204 -2H2 0

llm
16m

102
55

Pd(C 12H 16NO) 2

7m
17m
16m
16m
17m
16m
7m
9m
4m
17m
9m
9m
15m
16m
16m
16m
8m
9m
9m
15m
16m
17m
17m
6m
llm
8
8
lira
7m
16m
16m
17m
17m
9m
8m
18m
7
8m
16m
16m
18m
7m
7m

144
55
141
144
56
56
153
93
30
60
39
96
55
149
152
154
123
102
47
66
157
70
72
70
110
55
56
66
168
160
75
81
83
113
152
76
61
154
78
162
78
123
170

FeC 2 0 4 -2H2 0
Pb(HC02 ) 2
Li 2 C204
C6H4 (C02Hg) 2
C 14H20C1N3 S
C6H 5NHS02 CH3
C 17H20 C1N03 -3H2 0
C 19H22 C1N0 4 -2H2 0
Nd[(C 2H 5 )S04 ] 3 -9H 20
Ni(C 2H 302 ) 2 -4H2 0
Ni(C 3H4N2 ) 6 (N03 ) 2
Ni(C 3H 4N2 ) 4 Cl 2
C 6H 5N0 2

C 5H 124

C 17H26 C1N
C 12H 12N20 3
C 6H 8N2 -HC1
C 6H3N30 7
(CH2 ) 5 (C02H) 2
K02 CH-H02 CH
C 6H4 (COOH)(COOK)
C 4H3K0 8 *2H2 0
K2 C 204 -H2 0
K 2 C 20 4 *H202
C 4H4KNa06 -4H 2 0
C i 3H2 j C1N2 02
C 12H 16N20
Rb 2 C 2 0 4 -H2 0 2
Ag 2 C 20 4
C 2H3Na0 2 '3H20
C 8HnN2 Na0 3
C 5H8NNa04 -H2 0
C 2HNa0 4 *H2 0
Na 2 C 20 4
(CHOH-C02Na) 2 -2H2 0
Sr(CH02 ) 2
Sr(CH0 2 ) 2 *2H20 (orthorhombic)
Ci 2H22 0 11
(CHOHC02H) 2
C 8H 504 T1
CH5N 3 S
CH4N2 S
(CH3 ) 3NHC1
C 2H 5OC 6H2 (N0 2 ) 3
C 4H60 6U-2H2 0
CO(NH2 ) 2
C 5H4N4 0 3
C5H4N4 0 3
C 11 H 16N 23

C 4H60 4 -2H2 0
Zn(C 3H4N2 ) 2 Cl 2
Zn(02 CCHNH2 CH2 CH2 C0 2 ) -2H2 0

102

CUHULATIVE MINERAL INDEX

Vol. or
Sec. Page

Vol. or
Sec. Page
Acanthite, Ag2 S ....................
Aeschynite CeNbTi06 ...............
Alabandite, MnS ...................
Anatase, Ti02 .....................
Andradite, Ca 3Fe2Si30 12 ...........
Anglesite, PbS0 4 ..................
Anhydrite, CaS0 4 ..................
Antarcticite, CaCl 2 -6H2 0 ..........
Antimony, Sb ......................
Aphthitalite, K3Na(S04 ) 2 ..........
Aragonite, CaC03 ..................
Aragonite, CaC0 3 (calculated pattern)
Arcanite, K2 S04 ...................
Arsenic, As .......................
Arsenolite, As 2 0 3 .................
Aurostibite, AuSb 2 ................
Avicennite, T1 2 0 3 .................
*Azurite, Cu3 (OH) 2 (C03 ) 2 ..........
*Bahianite, Al 5 . 66Feo.o9Sb 2 .9 50 16 .
Baryte, BaS04 .....................
Bassanite, CaS04 -0.5H2 0 ...........
Berlinite, A1P0 4 ..................
Berndtite, SnS 2 ...................
*Beryl, Be 3Al 2 Si 60 18 ..............
Bischofite, MgCl 2 *6H2 0 ............
Bismite, a-Bi 2 0 3 ..................
Bismoclite, BiOCl .................
Bismuth, Bi .......................
Bismuthinite, Bi 2 S 3 ...............
Bixbyite, a-Mn2 0 3 .................
*Bloedite, Na 2Mg(S0 4 ) 2 *4H2 0 .......
Boehmite, A1 2 0 3 *H2 0 ...............
*Bombiccite, C 20H34 ................
Borax, Na 2 B 40 5 (OH) 4 -8H2 0 ..........
Bromargyrite, AgBr.................
Bromellite, BeO ...................
*Brookite, Ti0 2 ...................
Brownmillerite, Ca 4Al 2Fe 2 0 10 ......
Brucite, Mg(OH) 2 ..................
Bunsenite, NiO ....................
Burkeite, Na 6 C0 3 (S04 ) 2 ............
*Butlerite, Fe(OH)S04 -2H2 0 ........
Cadmoselite, CdSe .................
Calcite, CaC03 ....................
Calomel, Hg 2 Cl 2 ...................
Carnallite, KMgCl 3 *6H2 0 ...........
Carobbiite, KF ....................
Cassiterite, Sn0 2 .................
Celestite, SrS04 ..................
Cerianite, Ce0 2 ...................
Cerussite, PbC0 3 ..................
Cervantite, Sb 2 0 4 .................
Chalcocyanite, CuS04 ..............
Chernovite, YAs04 .................
Chiolite, Na 5Al 3F 14 ...............
Chloraluminite, A1C1 3 -6H20 ........
Chlorargyrite, AgCl ...............
Chloromagnesite, MgCl 2 ............
Chromatite, CaCr0 4 ................
Chrysoberyl, BeAl 2 0 4 ..............
Cinnabar, HgS .....................
Claudetite, As 2 0 3 .................
Clausthalite, PbSe ................

10
3m
4
7m
9
3
4
12m
3
6m
3
14m
3
3
1
7
16m
10
16m
10m
18m
10
9m
9
llm
3m
4
3
5m
llm
6m
3
16m
16m
4
1
3m
16m
6
1
llm
10m
7
2
13m
8m
1
1
2
1
2
10
3m
2m
16m
7
4
llm
7
9
4
3m
5

51
24
11
82
22
67
65
16
14
52
53
44
62
6
51
18
77
30
87
12
22
3
57
13
37
17
54
20
13
95
63
38
122
66
46
36
57
28
30
47
52
95
12
51
30
50
64
54
61
56
56
8
29
39
63
3
44
94
13
10
17
9
38

Clinobisvanite, BiV04 .............

Copper, Cu ........................
Cordierite, Mg2Al 4Si 50 18 ..........
Corundum, A1 2 0 3 ...................
Cotunnite, PbCl 2 ..................
Covellite, CuS ....................
Cristobalite (a or low) Si02
(tetragonal) .....................
Cristobalite (a or low) Si02
(tetragonal, calculated pattern)
Cristobalite ( or high) Si02 (cubic)
Cryolithionite, Li 3Na 3Al 2F 12 ......
Cryptohalite, (NH4 ) 2 SiF 6 ..........
Cuprite, Cu2 0 .....................
*Derbylite, SbFe 4Ti 30 13 (OH) .......
^Diamond, C ................. ......
*Diaspore, A1 2 0 3 *H20 ..............
Diopside, CaMg(Si03 ) 2 .............
*Dravite, NaMg 3Al 6B3Si 60 27 (OH) 4 ...
Eitelite, Na 2Mg(C0 3 ) 2 .............
Elpasolite, K2NaAlF6 ..............
*Enstatite, MgSi0 3 ................
Epsomite, MgS0 4 *7H2 0 ..............
Eriochalcite, CuCl 2 '2H20 ..........
Erythrosiderite, K2FeCl 5 'H20 ......
Eskolaite, Cr 2 03 ..................
Ettringite, Ca 6Al 2 S 30 18 *31H20 .....
Fairchildite, K2 Ca(C0 3 ) 2 ..........
Fluorapatite, Ca 5F(P04 ) 3 ..........
Fluorite, CaF2 ....................
Forsterite, Mg 2 Si0 4 ...............
Franklinite, ZnFe 204 ..............
Fresnoite, Ba 2TiSi 20 8 .............
Gahnite, ZnAl 20 4 ..................
Galaxite, MnAl 2 04 .................
Galena, PbS .......................
Gaspeite, NiC0 3 ...................
Geikielite, MgTi03 ................
Gersdorffite, NiAsS ...............
Glauberite, Na 2 Ca(S0 4 ) 2 ...........
Gold, Au ..........................
Goslarite, ZnS0 4 *7H2 0 .............
Greenockite, CdS ..................
*Groutite, MnO(OH) ................
Gypsum, CaS0 4 -2H2 0 ................
Halite, NaCl ......................
"Hartite, C 20H34 ...................
Hausmannite, Mn 30 4 ................
Hematite, a-Fe 203 .................
*Hemimorphite, Zn4 (OH) 2 Si 2 0 7 -H20 ..
Hetaerolite, ZnMn2 04 ..............
*Hexahydroborite, Ca[B(OH) 4 ] 2 *2H20
Hieratite, K2 SiF 6 .................
Hopeite, Zn3 (P04 ) 2 -4H20 ...........
Huebnerite, MnW0 4 .................
Humboldtine, FeC 2 04 *2H20 ..........
Humite, Mg 7F 2 Si 30 12 ...............
Hydromolysite, FeCl 3 -6H 2 0 .........
Hydrophilite, CaCl 2 ...............
Ilmenite, FeTi03 ..................
Indialite, Mg 2Al 4Si 50 18 ...........
lodargyrite, Agl ..................
Iron, a-Fe ........................
Jacobsite, MnFe 2 0 4 ................
*Julgoldite, Ca 2Fe 3 Si 30 10 (OH,0) 2 (OH) 2

Natural mineral
103

3m
1
1m
9
12m
4

14
15
28
3
23
13

10

48

15m
1
9m
5
2
16m
2
3
5m
3m
llm
9m
6
7
18m
14m
5
8
8m
3m
1
1
9m
9m
2
9
2
1m
5
1m
6m
1
8
4
llm
17m
2
16m
10m
18m
2
10m
16m
5
16m
2m
10m
1m
17m
llm
15m
1m
8
4
9
10m

180
42
23
5
23
89
5
41
17
47
56
43
32
30
33
27
22
3
48
22
69
83
60
14
38
35
18
36
43
35
59
33
71
15
97
16
41
122
38
37
62
61
104
50
85
24
24
30
40
18
34
29
51
3
36
72

Vol. or
Sec. Page

Vol. or
Sec. Page
Kalistrontite, K2 Sr(S04 ) 2 .........
Kieserite, MgS04 *H20 ..............
Kremersite, (NH4 ,K) 2 FeCl 5 -H 20 .....
Langbeinite, K2Mg 2 (S04 ) 3 ..........
Lautarite, Ca(I03 ) 2 ...............
Lead, Pb ..........................
*Leucophanite, NaCaBeFSi 20 6 .......
Libethenite, Cu2 (OH)P04 ...........
*Liddicoatite, Ca(Li,Al) 3Al 6B 3Si 6027
(0,OH) 3 (OH,F) ....................
Lime, CaO .........................
Lime, CaO (calculated pattern) ....
*Linarite f CuPb(OH) 2 (S0 4 ) .........
Litharge, PbO (red) ...............
Lithiophosphate, Li 3P0 4 ...........
Loellingite, FeAs 2 ................
Loeweite, Na 12Mg 7 (S04 ) 13 -15H2 0 ....
Lopezite, K2 Cr 20 7 .................
*Loveringite, Ca <72RE >33 (Y,Th,U,
Pb) i0 5Ti i2.48Fe 3 . 38Cr 2<24Mg a92
Zr <58Al, 39V <2 iMn.040.38 .........
Lueshite, NaNb0 3 ..................
Macedonite, PbTi03 ................
Magnesiochromite, MgCr 204 .........
Magnesite, MgC03 ..................
Magnetite, Fe 30 4 ..................
Malachite, Cu2 (OH) 2 C03 ............
Malladrite, Na 2 SiF 6 ...............
Manganolangbeinite, K2Mn2 (S04 ) 3 ...
Manganosite, MnO ..................
Marshite, Cul .....................
Mascagnite, (NH4 ) 2 S04 .............
Massicot, PbO (yellow) ............
Matlockite, PbFCl .................
Matteuccite, NaHS04 -H2 0 ...........
Mayenite, Ca 12Al 14033 .............
Melanterite, FeS04 7H2 0 ...........
*Meliphanite,
Na. 63Ca U37BeAl >13Si 1>S706 .25F.75
Metaborite, HB02 ..................
Metacinnabar, HgS .................
Miargyrite, AgSbS 2 ................
*Millerite, NiS ...................
Minium, Pb 304 .....................
Mitscherlichite, K2CuCl 4 *2H20 .....
Molybdenite, MoS 2 .................
Molybdite, Mo0 3 ...................
Monteponite, CdO ..................
Montroydite, HgO ..................
Mullite, Al 6Si 20 13 ................
Nantokite, CuCl ...................
*Newberyite, MgHP04 *3H20 ..........
Niter, KN03 .......................
Nitrammite, NH4N03 ................
Nitrobarite, Ba(N0 3 ) 2 .............
Norbergite, Mg 3F2 Si04 .............
Oldhamite, CaS ....................
Otavite, CdC03 ....................
Oxammite, (NH4 ) 2 C 2 04 -H20 ..........
Palladium, Pd .....................
Palladseite, Pd 17 Se 15 .............
Palmierite, K2Pb(SQ4 ) 2 ............
Paraguanajuatite, Bi 2 Se 3 ..........
*Paratellurite, Te02 ..............
Paratellurite, Te02 ...............
Periclase, MgO ....................
Perovskite, CaTi03 ................

Urn
16m
14m
6m
14m
1
8ra
17m

31
46
8
40
12
34
138
30

16m
1
14m
16m
2
4m
10
14m
15m

42
43
49
34
30
21
34
35
47

16m
18m
5
9
7
5m
10
16m
6m
5
4
9
2
13m
9m
9
8m

106
64
39
34
28
31
31
68
43
45
38
8
32
25
52
20
38

8m
4m
4
5m
1m
8
9m
5
3
2
9
3m
4
7m
3
7
llm
10
7
7
7
1
16m
14m
18m
10
7
1
9m

135
27
21
49
37
32
34
47
30
27
39
3
35
139
58
4
14
39
15
11
5
21
139
30
16
55
56
37
17

*Phenakite, Be 2Si04 ...............

Picromerite, K2Mg(S04 ) 2 -6H20 ......
*Pirssonite, Na 2 Ca(C03 ) 2 -2H20 .....
Platinum, Pt ......................
Portlandite, Ca(OH) 2 ..............
Potash alum, KA1(S04 ) 2 -12H20 ......
Powellite, CaMo04 .................
Pyrargyrite, Ag3SbS 3 ..............
Pyrite, FeS 2 ......................
*Pyroaurite, Mg6Fe 2 C03 (OH) 16 -4H20
Pyrolusite, 0-Mn02 ................
Pyrope, Mg 3Al 2 (Si04 ) 3 .............
Pyrophanite, MnTi0 3 ...............
*Quartz, Si02 (a or low) ..........
Quartz, low, Of-Si02 ...............
Rammelsbergite, NiAs 2 .............
Retgersite, NiS04 *6H20 ............
Rhodochrosite, MnC03 ..............
Rokuhnite, FeCl 2 *2H20 .............
Romarchite, SnO ...................
*Roscherite, (monoclinic),
Be 2Ca(Fe. 3Mg. 7 ) 2Al. 67 (P04 ) 3 -2H20
*Roscherite, (triclinic), Be4 Ca 2
(Mn3 eiMg
(P04 ) 6 (OH) 4 - 6H2 0
Rutile, Ti02
Safflorite, CoFeAs 4 ..............
Salammoniac, NH4C1 ...............
Sanbornite, p-BaSi 2 0 5 ............
Sanmartinite, ZnW04 ..............
Scacchite, MnCl 2 .................
*Scheelite, CaW04 ................
Schultenite, PbHAs04 .............
Selenium, Se .....................
Selenolite, Se02 .................
Sellaite, MgF2 ...................
Senarmontite, Sb 20 3 ..............
Shcherbinaite, V20 5 ..............
*Siderite, FeC03 .................
Silver, Ag .......................
Silver, Ag (reference standard) ..
*Sjogrenitc > Mg6Fe 2 C03 (OH) 16 -4H20
Skutterudite, CoAs 3 ..............
*Smithsonite, ZnC0 3 ..............
Soda alum, NaAl(S04 ) 2 -12H20 ......
*Sodalite, Na 8Si 6Al 6024 Cl 2 .......
Soda niter, NaN0 3 ................
Sphaerocobaltite, CoC0 3 ..........
Sphalerite, ZnS ..................
Spinel, MgAl204 ..................
Stibnite, Sb2 S3 ..................
Stilleite, ZnSe ..................
Stolzite, PbW04 ..................
Strontianite, SrC0 3 ..............
Struvite, MgNH4P04 -6H20 ..........
Sulfur, S (orthorhombic) .........
Sylvite, KC1 .....................
Syngenite, K2 Ca(S04 ) 2 *H20 ........
Szmikite, MnS04 -H20 ..............
Tellurantimony, Sb 2Te s ...........
*Tellurite, Te02 .................
Tellurium, Te ....................
Tellurobismuthite, Bi 2 Te 3 ........
Tenorite, CuO ....................
Teschemacherite, NH4HC03 .........
Thenardite, Na 2 S04 ...............
Thermonatrite, Na2C03 -H2 0 ........

104

8
8m
9m
1
1
6
6
5m
5
10m
10m
4m
15m
3
18m
10
7
7
llm
4

11
54
106
31
58
36
22
51
29
104
39
24
42
24
61
42
36
32
32
28

16m

96

16m
7m
10
1
13m
2m
8m
6
14m
5
7m
4
3
8
15m
1
8m
10m
10
8
15m
7m
6
10
2
9m
5
3
5m
3
3m
9
1
14m
16m
3m
9
1
3m
1
9
2
8

100
83
28
59
10
40
43
23
18
54
60
33
31
66
32
23
2
103
21
69
68
158
50
24
16
25
6
23
34
56
41
54
65
25
49
8
57
26
16
49
5
59
54

Vol. or
Sec. Page
*Thomsenolite, NaCaAlF6 -H20 .......
Thorianite, Th02 ..................
Thortveitite, Sc 2 Si 20 7 ............
Tiemannite, HgSe ..................
Tin, Cf-Sn (cubic) .................
Tin, p-Sn (tetragonal) ............
*Topaz, Al 2 Si04 (F,OH) 2 ............
Trevorite, NiFe204 ................
Trippkeite, CuAs 20 4 ...............
*Trona, Na 3H(C03 ) 2 -2H20 ...........
Tschermigite, NH4A1(S04 ) 2 -12H2 0 ...
Tungstenite, WS 2 ..................
Unnamed mineral,
Ki.i 6B8. 72Fe.36 Tis.ssOia ........
Uraninite, U02 ....................
Uvarovite, Ca 3Cr2 (Si04 ) 3 ..........
*Valentinite, Sb 203 ...............
Vanthoffite, Na 6Mg(S04 ) 4 ..........
Villiaumite, NaF ..................
Vivianite, Fe3 (P0 4 ) 2 *8H20 .........
Wakefieldite, YV04 ................
Willemite, Zn2 Si0 4 ................
Witherite, BaC03 ..................
Wulfenite, PbMo04 .................
Wurtzite, ZnS .....................
*Xanthoconite, Ag3AsS 3 ............
Xenotime, YP04 ....................
Yavapaiite, KFe(S04 ) 2 .............
Zinc, Zn ..........................
Zincite, ZnO ......................
Zinkosite, ZnS04 ..................
*Zircon, ZrSi04 ...................
Zircosulfate, Zr(S0 4 ) 2 *4H20 .......

8m
1
7m
7
2
1
1m
10
16m
15m
6
8

132
57
58
35
12
24
4
44
120
71
3
65

16m
2
10
10
15m
1
16m
5m
7
2
7
2
8m
8
16m
1
2
7
4
7

147
33
17
6
72
63
38
59
62
54
23
14
126
67
59
16
25
64
68
66

*U.S. GOVERNMENT PRINTING OFFICE : 1981 0-340-997/ 1826

105

NBS-114A (REV. 2-80

U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATA
SHEET (See instructions)

1. PUBLICATION OR
REPORT NO.

2. Performing Organ. Report No.

3. Publication Date

Monogr. 25Sect.

October 1981

4. TITLE AND SUBTITLE

Standard X-ray Diffraction Powder Patterns

Section 18 - Data for 58 Substances
5. AUTHOR(S) Marlene C. Morris, Howard F. McMurdie, Eloise H. Evans, Boris Paretzkin,
Harry S. Parker, Nicolas C. Panagiotopoulos, and Camden R. Hubbard
6. PERFORMINGORGANIZATION (If joint or other than NBS. see mstruct/ons)

NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE
WASHINGTON, D.C. 20234

7. Contract/Grant No.

JCPDS - International Centre

for Diffraction Data
Swarthmore, PA 19081

8. Type of Report & Period Covered

Final

9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City. State, ZIP)

10. SUPPLEMENTARY NOTES

Library of Congress Catalog Card Number:

53-61386

QJ Document describes a computer program; SF-185, FlPS Software Summary, is attached.

11. ABSTRACT (A 200-word or less factual summary of most significant information, if document includes a significant
bibliography or literature survey, mention it here)

Standard x-ray powder diffraction patterns are presented for 58 substances.

These experimental patterns, useful for identification, were obtained by
diffractometer methods. The lattice constants were refined by least-squares
methods, and reflections were assigned Miller indices consistent with space
group extinctions. Relative intensities, calculated densities, literature
references, and other relevant data are included.

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

Crystal structure; densities; lattice constants; powder patterns; reference

intensities; standard; x-ray diffraction.
13. AVAILABILITY

14. NO. OF
PRINTED PAGES

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110

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