Structure of Crystalline

Solids
 Solids

Crystalline Amorphous
UNIT CELLS- Small repetitive
entities which form a complete
solid structure

Basic structural unit of the crystal

structure that defines the crystal
geometry and atoms position.

Ref: W. D. Callister
Crystal systems

Ref: W.D. Callister

Bravais Lattices
Tetragonal

Triclinic

Monoclinic
Hexagonal
Orthorhombic

Rhombohedral Cubic
Atomic packing fraction

Body centered cubic (BCC)crystal structure

Ref: W.D. Callister

Derive the expression for APF of FCC crystal structure.
Hexagonal Closed Packed (HCP) crystal
structure

Ref: W.D. Callister

To find c/a value

Consider the equilateral ∆ with length

a (lattice constant) at the base,

h is the height, x is the distance of

atom to the middle of the ∆,

h= √(a2-(a/2)2) = a√(3/4)
x= (2/3)h = (2/3)* a√(3/4) = a/√3
c/2 = √(a2-x2)
= a√(2/3)
C/a = √(8/3) = 1.633
Density computation

Example: In case of FCC

Density computation

n = number of atoms associated with each unit cell

VC = volume of the unit cell
A = atomic weight
NA= Avogadro’s number (6.023 x 1023 atoms/mol)
Problems
1. Copper has an atomic radius of 0.128 nm (1.28A°), FCC crystal
structure, and an atomic weight of 63.5 g/mol. Compute its
theoretical density.

2. Iron has a BCC crystal structure, an atomic radius of 0.124 nm, and
an atomic weight of 55.85 g/mol. Compute its density. Ans.
7.8g/cm3.

3. Calculate the radius of an iridium atom given that It has FCC crystal
structure, a density of 22.4 g/cm3, and an atomic weight of 192.2
g/mol. Ans. 136 nm

4. Rhodium has an atomic radius of 0.1345 nm (1.345 A°) and a

density of 12.41 g/cm3. Determine whether it has an FCC or BCC
crystal structure. At. wt. 102.9 g/mol. Ans. fcc
 Crystallographic planes

Ref: W.D. Callister

Linear atomic density, Planar atomic density

1. Calculate the no. of atoms per mm2 surface area of (100) plane,
(110) plane and (111) plane for aluminium having FCC crystal
structure. R= 143 pm

2. Lead has FCC structure with interatomic distance of 3.499 A.

Find the no. of atoms per sq.mm in (100) plane. Ans. 8.16x1012

3. Calculate the linear atomic density for BCC crystal in [111]

direction.
Interplanar Spacing

h, k, l are miller indices

a is lattice parameter
X-Ray Diffraction and Bragg’s Law

Bragg’s Law establishes relationship among x-ray

wavelength, interatomic spacing, and angle of diffraction
for constructive interference

Constructive Interference: When 2 rays with same phase

are scattered and still remain in phase.
Constructive Interference

Ref: W.D. Callister

 X-Ray Diffraction and Bragg’s Law
Parallel and coherent
beam of X- rays

A-A’, B-B’ are

Ref: W.D. Callister
two parallel
planes of atoms

Path difference = nλ
= SQ + QT

n is the order of reflection, which may be any integer (1, 2, 3, . . . )

Problem:

For BCC iron, compute (a) the interplanar spacing, and (b) the
diffraction angle for the (220) set of planes. The lattice
parameter for Fe is 0.2866 nm. Also, assume that
monochromatic radiation having a wavelength of 0.1790 nm
is used, and the order of reflection is 1.
Problems
1. Calculate interplanar spacing for (200) and (111)set of planes
in lead crystal. Lead has a FCC structure with edge length 4.95
Å.
2. A metal X is having FCC structure with interatomic distance as
3.499 Å. Find the number of atoms per sq. mm in (100) plane.

3. A metal is having lattice para meter 2.9 Å and density 7.87

g/cc. Atomic weight of metal is 55. 85g/mol. Find whether the
crystal is FCC or BCC.
NA = 6.023x 1023
Answers:

1) 2.475 Å, 2.857 Å
2) 8.16 x 1012
3) BCC