Professional Documents
Culture Documents
Topic 1
Reflectionat a plane
Rotation about an axis
Inversion through a point
Glide(=reflection + translation)
Screw (=rotation + translation)
Rotations
Mirror Symmetry
Inversion
2D - Point Groups
Point and Space Groups
7 crystal systems
14 Bravais lattices
100 [100 ], [010 ], [001 ], [ 1 00 ], [0 1 0], [00 1 ]
Crystal Planes
Crystal Planes: Miller Indices
Procedure for finding Miller indices in four-index notation:
1. Find the intersections, r and s, of the plane with any two of the basal plane
axes.
2. Find the intersection t of the plane with the c axis.
3. Evaluate the reciprocals 1/r, 1/s, and 1/t.
4. Convert the reciprocals to smallest set of integers that are in the same ratio.
5. Use the relation i = -(h+ k), where h is associated with a1, k is associated
with a2, and i is associated with a3.
6. Enclose all four indices in parentheses: (h k i l)
Example: What is the designation, using four
Miller indices, of the lattice plane shaded
pink in the figure?
(1210 )
Why are planes in a lattice important?
Answer
Aluminum has an fcc structure, so a = b = 4.041
1 1
d hkl 1.43 angstroms
h2 k 2 22 22
a2 4.041 2
Interstitials
FCC BCC
What types/sizes of atoms or ions can fit in a given interstitial
site?
Answer:
1. Calculate the effective radius of the void space using
trigonometry AND the hard-sphere model with the radius r for
the host atom (for metals) or ions (for ionic crystals).
2. Any element with atomic/ionic radius less than or equal to can
occupy that interstitial site.
3. If the element has radius larger than , then it will cause some
distortion to the crystal structure
4. The increased energy due to distortion will limit the number of
interstitial sites that can be occupied (example: carbon in iron).
Examples of common structures:
(1) The Sodium Chloride (NaCl) Structure
(LiH, MgO, MnO, AgBr, PbS, KCl, KBr)
The NaCl structure is FCC
The basis consists of one Na
atom and one Cl atom,
separated by one-half of the
body diagonal of a unit cube
There are four units of NaCl
in each unit cube
Atom positions:
Cl : 000 ; 0; 0;
0
Na: ; 00; 00; 00
Often described as 2
Each atom has 6 nearest interpenetrating FCC lattices
neighbours of the opposite
kind
NaCl structure
Crystal a
LiH 4.08
MgO 4.20
MnO 4.43
a
NaCl 5.63
AgBr 5.77
PbS 5.92
KCl 6.29
KBr 6.59
(2) The Cesium Chloride (CsCl) structure
(CsBr, CsI, RbCl, AlCo, AgZn, BeCu, MgCe, RuAl, SrTl)
Crystal a
BeCu 2.70
AlNi 2.88
CuZn 2.94
CuPd 2.99
a
AgMg 3.28
LiHg 3.29
NH4Cl 3.87
TlBr 3.97
CsCl 4.11 Why are the a values smaller for the CsCl
structures than for the NaCl (in general)?
TlI 4.20
Closed-packed structures
(or, what does stacking fruit have to do with solid state physics?)
Closed-packed structures
There are different ways you can pack spheres together. This shows
two ways, one by putting the spheres in an ABAB arrangement, the
other with ACAC. (or any combination of the two works)
(3) The Hexagonal Closed-packed (HCP) structure
Be, Sc, Te, Co, Zn, Y, Zr, Tc, Ru, Gd,Tb, Py, Ho, Er, Tm, Lu, Hf, Re, Os, Tl
FCC
(CCP)
HCP (looking along
[111] direction
ABAB ABCABC
sequence sequence
HCP and FCC structures
The hexagonal-closed Crystal c/a
packed (HCP) and FCC He 1.633
structures both have the Be 1.581
ideal packing fraction of
0.74 (Kepler figured this Mg 1.623
out hundreds of years ago) Ti 1.586
The ideal ratio of c/a for Zn 1.861
this packing is
Cd 1.886
(8/3)1/2 = 1.633
Co 1.622
Y 1.570
Zr 1.594
Gd 1.592
Lu 1.586
Amorphous Materials
Glass
The continuous
random network
structure
of amorphous
silicon dioxide,
notice that
each Si atom
(gold spheres)
has 4 bonds, and
each oxygen
atom (red
spheres) has 2
bonds.