https://www.youtube.

com/c/EngineeringPhysicsbySanjiv CRYSTALLOGRAPHY

CHAPTER -2 CRYSTALLGRAPHY
Session 1 : Unit cell, Space lattice, Crystal structure

INTRODUCTION:
The elements and their chemical compounds occur in nature in three states – the solid state, the
liquid state and the gaseous state. In solids, the constituent atoms or molecules are very tightly
packed and strongly bonded to each other. Solids constitute a very large proportion of materials
used in engineering and technology. Therefore, it is necessary to study their properties.

The solid state of matter is divided in two broad categories on the basis of their structure –
Crystalline solid and Non crystalline (Amorphous) solid. In engineering studies, we will be
dealing mainly with crystalline solids. A detail study of crystal structure and its relationship with
properties of materials is very useful in choosing appropriate materials for specific applications
and also in fabricating the materials with desired properties.
CRYSTALLINE SOLIDS AND AMORPHOUS SOLIDS :

CRYSTALLINE SOLIDS AMORPHOUS SOLIDS

1. In crystalline solids, the atoms are
arranged in a regular manner forming a
three dimensional pattern. This pattern
can be obtained by a three dimensional
repetition of a certain pattern unit. This
repetition thus represents certain
periodicity.
2.
1. The substances which possess properties
of solids, but do not have any definite
arrangement of atoms in them are called
as amorphous solids.
2.

Crystalline Solids Amorphous Solids

3. Crystalline solids have sharp melting
point.
4. Crystalline solids can be cleaved along
definite planes.
5. As crystalline solids may have different
periodic arrangements in different
directions, physical properties may vary
with direction and therefore they are
called anisotropic.
6. e.g. copper, silver, aluminium, silicon
3. Amorphous solids do not have sharp
melting point.
4. Amorphous solids undergo irregular
breakage.
5. Amorphous solids do not have
directional properties and therefore they
are called isotropic.
6. e.g. silicate glass, fibre glass, Teflon,
naphthelene

Prepared by – Sanjiv Badhe Page 1 of 6

https://www.youtube.com/c/EngineeringPhysicsbySanjiv CRYSTALLOGRAPHY

Why to Study Crystal Physics ?

At the initial stage of study of crystals, their physical properties were attributed to their external
form. This could achieve a very limited success in explaining various properties of materials.
However, with the development of quantum mechanics and advances made in the energy band
theory of solids, a better correlation of the structure of crystals could be developed with the
mechanical, thermal, electrical and magnetic properties of solids. This knowledge has resulted in
developing newer materials with varied and more remarkable and useful properties for
technological applications.
The study of crystal physics aims at interpreting the macroscopic properties of solids in terms of
the properties of the microscopic particles and their interactions in context of the crystal structure.
The science of crystal physics deals with the study of geometrical forms and other physical
properties of crystalline solids by using X-rays, electron beams, neutron beams etc.
TERMINOLOGY IN CRYSTAL PHYSICS
Various terms used in crystal physics are defined as follows –
Unit Cell :
Atoms in a crystal are arranged in a periodic way. It is possible to isolate a representative unit cell
in crystals. The smallest fundamental building unit having definite arrangement of atoms, ions or
molecules which is repeated to form a crystal is called as the unit cell. The entire crystal can be
constructed by repeated transnational repetition of unit cell in three dimensions.

Unit Cell

Two dimensional consideration Three dimensional consideration

Unit Cell

Space Lattice And Atomic Basis :

Atoms or molecules are periodically arranged in a crystal. We can look at it in two ways-
i) Physical view (In this, we consider actual atoms or molecules)
ii) Geometrical view (In this, we consider arrangement of atoms or molecules)

Thus we can write –

Crystal = [An arrangement of points] + [Atom or group of atoms associated with each point].

Prepared by – Sanjiv Badhe Page 2 of 6

https://www.youtube.com/c/EngineeringPhysicsbySanjiv CRYSTALLOGRAPHY

We define Space lattice as the regular ordered arrangement of points. Atomic basis is defined as
the atoms or group of atoms that is associated with each point in space lattice. Thus, we can write
Crystal = Space lattice + Atomic Basis. Basis

Space Lattice Crystal

Space lattice and Atomic Basis

We can obtain different crystals from same space lattice by associating different atomic basis with
points. If atomic basis consists of only one atom, the crystal is said to be monatomic. If the atomic
basis consists of two atoms, the crystal is called diatomic and so on.
Crystal Axes Or Lattice Axes :

A three-dimensional space lattice is characterized by three axes – X, Y and Z. These axes are
called as lattice axes or crystal axes. The transnational vectors , joining two nearest
points along given axis are called as basis vectors. They are independent and non-coplanar. They
are shown in the following fig. –

Z
Y

b
c

X
a, b and c are basis vectors along 3 axes

Prepared by – Sanjiv Badhe Page 3 of 6

https://www.youtube.com/c/EngineeringPhysicsbySanjiv CRYSTALLOGRAPHY

Lattice parameters of the unit cell :

Following figure shows a unit cell of a three-dimensional crystal lattice-
Z

β α b Y

a γ

X
Lattice parameters of unit cell
A lattice unit cell can be completely described by the three vectors , , and the three angles α, β
and γ between them. Taking any lattice point as the origin, all other points on the lattice can be
obtained by a repeated operation of the lattice vectors , . The lattice vectors , , and the
interfacial angles α, β and γ constitute the lattice parameters of the unit cell. The actual form and
size of the unit cell can be determined if these lattice parameters are known.
CRYSTAL SYSTEMS AND BRAVAIS LATTICES (no question)
Space lattice of a crystal is described by means of a 3-directional co-ordinate system in which the
co-ordinate axes coincide with any three edges of the crystal intersecting at one point. Based on
the relative values of a, b, c and angles α, β and γ, there arise only seven different crystal systems.
Bravais showed mathematically that there are only 14 different ways of arranging lattice points in
a space lattice so that each point gets an identical surrounding. These 14 different ways are called
as Bravais lattices. Following table shows these seven basic crystal systems with their
characteristic features and bravais space lattice types occurring in each one of them.

Sr.
Crystal system Sides Angles bravais lattice Examples
No.
1. Cubic a=b=c α = β = γ = 900 Simple, Po,
Body Centered, Li, Na, Cr
Face Centered. Ni, Cu, Ag
2. Tetragonal a = b ≠ c α = β = γ = 90 0
Simple,
In, Sn
Body Centered.
3. Orthorhombic a ≠ b ≠ c α = β = γ = 90 0
Simple,
Body Centered, Ga, P, S,
Base Centered, KNO3
Face Centered.
4. Monoclinic a ≠ b ≠ c α = β = 90 , γ ≠ 90
0 0
Simple,
Pu, CaSO4
Base Centered.
5. Triclinic a ≠ b ≠ c α ≠ β ≠ γ ≠ 90 0
Simple. CuSO4
6. Trigonal a = b = c α = β = γ ≠ 90 0
Simple. Hg, Bi
7. Hexagonal a = b ≠ c α = β = 90 , γ = 120
0 0
Simple. Zn, Mg, Cd
Crystal Systems and Bravais lattices

Prepared by – Sanjiv Badhe Page 4 of 6

https://www.youtube.com/c/EngineeringPhysicsbySanjiv CRYSTALLOGRAPHY

RELATION BETWEEN MOLECULAR WEIGHT AND DENSITY:-

Let volume of unit cell = V

Let ρ = density of the crystal
∴ Mass of each unit cell = ρ ⋅ V ------------------------------(1)
Let ‘n’ be the number of atoms per unit cell
‘M’ be the molecular weight
‘NA’ be the Avagadro number
M
∴ Mass of each molecule =
NA
M
∴ Mass of each unit cell = n ⋅ ------------------------(2)
NA
From (1) and (2), we get
M
ρ⋅V = n⋅
NA
n⋅M
∴ V =
ρ ⋅ NA
n⋅M
∴ ρ = - - - - - - - - - - - - - - - - - - - - - - - - - (3)
V ⋅ NA

1. Molybdenum has BCC structure. Calculate atomic radius and mass density.
Given that lattice constant a = 3.15 A0, atomic weight of Mo = 95.94 and
Avogadro’s Number = 6.023 x 1026 / kg-mole.
n= 2 (BCC structure)
M = 95.94
NA = 6.023 x 1026 / kg-mole.
a = 3.15 A0 = 3.15 x 10-10 m
For atomic radius,
3 3 × 3.15 × 10 -10
r = a = = 1.364 × 10 -10 m
4 4
For Mass density,
n M 2 × 95.94
ρ = =
NA a3 6.023 × 10 26 × (3.15 × 10 -10 ) 3
191.88
= −3
= 1.0193 × 10 4 kg / m 3
18.825 × 10

Prepared by – Sanjiv Badhe Page 5 of 6

https://www.youtube.com/c/EngineeringPhysicsbySanjiv CRYSTALLOGRAPHY

2. Aluminium has density 2.7 gm/cm3. Its atomic weight is 27 and lattice parameter is 4.05 A0.
Determine the type of crystal structure followed by Aluminium.
NA = 6.023 x 1023 / gm-mole.
1
 n M  3
a =  
 NA ρ 
a3 NA ρ
∴ n =
M

=
(4.05 × 10 ) -8 3
× 2.7 × 6.023 × 10 23
27
= 4.001 ≈ 4
Thus n = 4 indicates that Aluminium has FCC structure.
3. Calculate density of GaAs using following data :
Atomic weight of Ga = 69
Atomic weight of As = 74
Lattice constant for GaAs = 5.6 x 10-8 cm
Number of molecules per unit cell = 4
Avogadro’s Number = NA = 6.023 x 1023 /gm-mole
Molecular weight of GaAs = M = 69 + 74 = 143
n M
We know, a3 =
ρ NA
n M 4 × 143
∴ ρ = =
NA a3 (
6.023 × 10 23 × 5.6 × 10 -8 )3

572
= = 5.408 gm / cm 3
105.77

Prepared by – Sanjiv Badhe Page 6 of 6