Professional Documents
Culture Documents
UNIV. of ARIZONA
MONOGRAPH 25-SECTION 18
VAU o? *
Camden R. Hubbard
National Measurement Laboratory
National Bureau of Standards
Washington, DC 20234
, op c0
jCPDs
^
Of "*
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
.......
...........
......
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
1.............PB
2.............PB
3.............PB
4.............PB
5.............PB
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
178 430
178 431
194 872
72-50002
72-51079
74-50183
75-50162
254 073
272 372
287 182
Also, until the present supply is exhausted, the following issues are for sale from the Superinten
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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
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
Figure 1.
sin 6
and
a=
where
m is the number of strong lines
(usually 5), and
n is the number of independent
observations i, per line.
xe
i rel (h)
i c (k)
T2
n(n-l)
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.
Proc.
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
d(A)
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
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
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
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.
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
J obs
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.
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
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
. 2 3 A1 2
CuKcfj \ = 1.540598 A; temp. 25 1
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
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.
26()
a = 3
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
\ = 1.540598 A; temp. 25 1
CuKcf
C
o
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
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
d(A)
=
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
C
0
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
= 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.
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
= 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
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)
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
Synonym
Calcium metaborate
CAS registry no.
13701-64-9
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.
Color
Colorless
Structure
Orthorhombic, Pnca (60), Z = 4. The structure
was determined by Marezio et al. [1963].
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
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
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.
I- 1
26( )
hk
a = 4
Color
Black
References
Bredig, M. A. (1942).
64. 1730.
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.
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
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
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
1 . 6640
1.6325
1.6301
1.5432
- 1.5376
1.5231
1.5186M
1.5186M
1.5150
1.5086M
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
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
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.
Powell [1962]
References
Bushuev, N. N. (1980).
225 (No. 5), 1104.
Color
Colorless
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).
Powell, D. A. (1962).
868,
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
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
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
24
Synonym
Cerium niobate
CAS registry no.
12014-72-1
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.
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
= 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
25
2
15
16
11
5
9
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
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
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
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
.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.
\ = 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
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.
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
hk
o = 3
Color
Strong pink
References
Baur, W. H. (1958).
488.
jrel
IL
7
3
3
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)
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
'
= 1.540598 A; temp . 25 1
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
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
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
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.
hk
26( )
a = 4
Color
Unground, shiny metallic gray in chunks
Ground, olive gray
References
Bjurstrom, T. (1933).
Geol. 11A.
irel
Z.
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
o
X = 1.540598 A; temp. 25 1 C
-0
Internal standard Ag, a = 4. 08651 A
CuKof
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
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
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
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
Acta Crystallogr.
Acta
J. Phys .
1 .0039
.9845
.9608
.9383
.9330
38
10
11
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
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.
6. 50
4. 186
3. 743
3. 242
2. 793
7
100
57
19
92
26( )
hk
I rel
0 =
26( )
hk
o = 5
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
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)
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
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
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
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
Acta
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
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
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.
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
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.
Color
Very pale violet
a
b
c
P
J. Amer. Ceram.
5
8
100
5
88
9
3
10
6
29
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
= 1.540598 A; temp. 25 1 C
o
Internal standard W, a = 3.16524 A
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
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
hk
d(A)
20 ( )
a = 3
[Kimura et al.,
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
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
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
C
0
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
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
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
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
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
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.
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
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.
9
18
1L
16
18
18
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
Synonym
Trisilicon tetranitride
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.
Color
Greyish white
d(A)
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
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
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
X - 1.540598 A; temp 25 1 C
Internal standard Si, a - 5. 43088 A
CuKa
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.
hk
0 -
Acta
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
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
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.
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
cr = 2
2511
o
A = 1.540598 A; temp
i
1
1
1
43
5
23
5
1
Vousden, P. (1951).
545.
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,
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
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.
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)
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
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
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).
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
Synonym
Alpha-sodium metavanadate
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.
Z.
26( )
hk
a = 4
Color
Colorless
Lelong, L. (1966).
I rel
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
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]
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.
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
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
jrel
a = 2
Color
Colorless
Structure
Orthorhombic, 2=4.
4
7
1
2
3
2
CuKa
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
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
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
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
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.
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
o
CuKa.* \ = 1.540598 A; temp. 25 1 C
o
Sample
The sample was obtained from Kennametal,
Latrobe, PA.
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
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
=
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
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
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
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
a =
Color
Bright greenish yellow
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
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
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
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
d(A)
Sample
The sample was obtained from J. T. Baker
Chemical Co., Phillipsburg, NJ.
= 1.49, N
= 1.490, N
P
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
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
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
Acta Crystallogr.
79
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
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
3
79
4
5
16m
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
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
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Vol. or
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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
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
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
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
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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
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
Sec. Page
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
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
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
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
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
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
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
142
Vol. or
Sec. Page
Vol. or
Sec. Page
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
Sec. Page
Vol. or
Sec. Page
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,
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
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
30
8m
50
8m
6m
10m
52
42
42
10m
43
6m
40
8m
54
Vol. or
Sec. Page
Vol. or
Sec. Page
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
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
7m
8
2m
4
3m
15m
48
47
30
41
46
60
47
6m
8m
57
58
Vol. or
Sec. Page
Vol. or
Sec. Page
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
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
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)
....................
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
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
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
Sec. Page
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
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
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
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 21H23 C1FN02
c 2iHao 2
C 22H25 C1N2 OS-2H 2 0
C 22H 3 Q0 4
C 24H32N2 02 Pd
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
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 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
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
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
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
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
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
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
105
BIBLIOGRAPHIC DATA
SHEET (See instructions)
1. PUBLICATION OR
REPORT NO.
3. Publication Date
Monogr. 25Sect.
October 1981
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53-61386
12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)
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