Crystals
Aqsa Arshad
Department of Physics,
IIU, Islamabad
10th Feb, 2014
Index System For Crystal Planes
Worked Example
Find the angle between the directions [2 1 1] and [1 1 2] in a
cubic crystal.
The two directions are [2 1 1] and [1 1 2]
We know that the angle between the two directions,
u1 u 2 + v1 v 2 + w1 w 2
cos θ =
(u12 + v12 + w12 )½ × (u 22 + v 22 + w 22 )½
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Index System For Crystal Planes
In this case, u1 = 2, v1 = 1, w1 = 1, u2 = 1, v2 = 1, w2 = 2
(2 × 1) × (1 × 1) + (1 × 2) 5
∴ cos θ =
22 + 12 + l2 × 12 + 12 + 22 6
(or) cos θ = 0.833
θ = 35° 35′30′′.
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Crystal Structures ---- NaCl
4
NaCl
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NaCl
1. Sodium and chloride ions are placed at alternate points of a SC lattice, but
with a different unit cell.
2. Thus bases consist of one Na atom, one Cl atom, separated by one half the
body diagonal of a unit cube.
3. Each ion has six of the other kind of ions as its nearest neighbors.
4. Four units of NaCl in each unit cube with atoms in position
Cl: 000; ½ ½ 0; ½ 0 ½; 0 ½ ½
Na: ½ ½ ½; 00½; 0½0; ½00
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NaCl
Take the NaCl unit cell & remove all “red” Cl ions, leaving
only the “blue” Na. Comparing this with the FCC unit cell, it
is found to be that they are identical. So, the Na ions are on a
FCC sublattice.
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Cesium Chloride Structure
-
1. Gold colored are Cl ions at ½ ½ ½.
- +
2. Cl ions at (000) form SC cation sublattice, and Cs forms SC anion sublattice.
3. Two interpenetrating SC sublattices form CsCl structure.
+
4. Cs coordination number is 8.
5. Examples: AgMg, BeCu, AlNi, CuZn (beta), LiHg, NH4Cl etc.
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Diamond Structure
1. Space Lattice is fcc
2. There is no way to choose the primitive cell such that bases have only
one atom.
3. Tetrahedral bonding exists, each atom has four nearest neighbours,
bond is b/w an atom with the three face atoms and one corner atom
4. Packing fraction is only 0.34
5. Covalent bonding exists b/w carbon atoms
6. Other elements that crystallize into diamond structure are Si, Ge, and
alpha Sn.
7. The diamond cubic structure is a combination of two interpenetrating
FCC sub lattices displaced along the body diagonal of the cubic cell by
1/4th length of that diagonal.
8. Thus the origins of two FCC sub lattices lie at (0, 0, 0) and
(1/4, 1/4,1/4)
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Diamond Structure
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Diamond Structure
The points at 0 and 1/2 are on the FCC lattice, those at 1/4 and 3/4
are on a similar FCC lattice displaced along the body diagonal by
one-fourth of its length.
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Diamond Structure
In the diamond cubic unit cell, there are eight corner atoms, six
face centered atoms and four more atoms.
No. of atoms contributed by the corner atoms to an unit cell is
1/8×8 =1.
No. of atoms contributed by the face centred atoms to the unit
cell
is 1/2 × 6 = 3
There are four more atoms inside the structure.
No.of atoms present in a diamond cubic unit cell is 1 + 3 + 4 = 8.
Since each carbon atom is surrounded by four more carbon
atoms, the co-ordination number is 4.
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Diamond Structure
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Zincblend Structure
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Zincblend structure
1. Zn atoms are placed on one fcc lattice, and S atoms on other
fcc.
2. Examples are CuF, SiC, CuCl, GaP, AlP
3. The coordinates of Zn atom are: 000; 0½½; ½0½; ½½0
4. The coordinates of S atoms are: ¼ ¼ ¼; ¼ ¾ ¾; ¾ ¼ ¾;
¾ ¾¼
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Highest Packing Fractions
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HCP Structure
To maximize packing fraction we discuss two arrangements
(i) FCC
(ii) HCP
In both cases the packing fraction is 0.74.
These are the most dense packing possible among regular/non regular
structures.
(iii) The A and C layers are placed so that their centres coincide.
(iv) The B layer is so placed that the each sphere of B is in contact with the
three spheres of bottom layer.
(v) The vertical axes, i.e., the direction of stacking is called c, so that
a1 = ax, a2 = xa/2 +y(3)1/2/2, a3 = cz
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HCP structure
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HCP Structure
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Calculate c/a ratio of HCP structure?
Crystal Structures In Periodic Table
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Problem 01: Chapter 01 (Charles Kittel)
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