DR - SF Unit1 Part1 Crystallography Notes

Introduction:
In universe matter exists in three different phases like solid, liquid and gaseous. At
sufficiently low temperature most of the matter exists in solid phase. A solid consists of
large number of closely packed atoms or molecules and they are arranged in a fixed
manner, so solids have definite shape and size. Whereas in liquids or gasses there are no
closely packed atoms or molecules and there is no fixed arrangement, so liquids or
gasses have no definite shape and size.
In order to explain the arrangement of atoms or group of atoms or molecules in solids,

we need to introduce a new field known as CRYSTALLOGRAPHY.
 Crystallography (Definition) is the study of crystal systems, arrangement and their

structures. It plays a major role in many of the branches like physics, chemistry,
biology, engineering, material science…etc.
 Crystallography provides valuable information about the existence of new material

to the chemical industries and solid state studies.
Based on the arrangement of atoms or group of atoms or molecules , solids are mainly
classified in to two types. They are
(1) Crystalline Solids
(2) Amorphous Solids
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Crystalline Solids:
 Crystalline solids have regular -periodic arrangement of atoms or group of atoms or

molecules.
 In crystalline solids the environment about each and every atom is
similar to one and another.
 Crystalline solids have directional properties. So they are also known as Anisotropic
substances.
 Crystalline solids have sharp melting point.
 Crystalline solids have long range order of atomic interactions with less lattice
energy. Examples: Quartz, Calcite, Rock salt, Sugar..etc
Amorphous Solids:
 Amorphous solids have no regular -periodic arrangement of atoms or group of

atoms or molecules.
 In Amorphous solids the environment about each and every
atom is dis-similar to one and another.
 Amorphous solids no have directional properties. So they are also known as
Isotropic substances.
 Amorphous solids have no sharp melting point.
 Amorphous solids have short range order of atomic interactions with high lattice
energy. Examples: Glass, Rubber, Plastic, Mica..etc

FUNDAMENTAL TERMS OF CRYSTALLOGRAPHY
(1) Space Lattice (or) Crystal Lattice (or) Lattice :
The regular-periodic arrangement of points in a three dimensional space is called

Space lattice or Crystal lattice or Lattice. The main important significant of space
lattice is the environment and distance between any two successive points is equal to
one and another.
(2) Basis:
In the formation of the crystal structure, it is necessary to place the atoms at each
lattice point. Such an arrangement of atoms at lattice points is called Basis.
(3) Crystal Structure:
A Crystal Structure is obtained by arranging the basis at lattice point. It can be written as
Space Lattice + Basis = Crystal Structure

(4) Unit Cell : It is smallest part of the crystal by repetition of it gives actual Crystal Structure.
Explanation: For example in the formation of wall, we have to arrange the bricks in
side-by-side order to form the wall, so there a brick can be considered as an unit cell.
Characteristics or Properties of Unit Cell
a) Number of atoms Present in unit cell

b) Atomic Radius
c) Co-ordination number
d) Packing Fraction or Atomic packing fraction
e) Lattice Parameters (a,b,c and ἀ , β, ϒ)
(5) Primitive Cell: It is the smallest unit cell which contains only one atom per unit cell.
(6) Non-Primitive Cell: It is the unit cell which contains more than one atom per cell.
(7) Lattice Parameters : There are six lattice parameters to represent the unit cell
(a) Primitives (a,b,c): The intercepts made by the plane on Crystallographic
axes.
(b) Interaxial angles or Interfacial angles (α,β,ϒ): The angles made by the
plane on Crystallographic axes.
(8) Bravais Lattice : If all the atoms at lattice points in the unit cell are identical then it
is called Bravais Lattice

DIFFERENT CRYSTAL SYSTEMS AND THEIR CRYSTAL STUCTURES (14 BRAVAIS LATTICES)
There are 7 types of crystal systems and their related 14 types of crystal structures
or 14 Bravais lattices based on primitives a,b,c and angles α,β,ϒ. They can be
explained as follows
S.No Name of the Relation between Type of lattice Number of Examples

Crystal System primitives and angles Symbol Possible
(Crystal Structure) Crystal
Structure
1. Cubic a=b=c P 3 Na,
I Nacl
α=β=ϒ=900 F
2. Tetragonal a=b≠c P 2 TiO2 ,
I KH2PO4
α=β=ϒ=900
3. Orthorhombic a≠b≠c P 4 PbCO3,
I KNO3
α=β=ϒ=900 F
C
4. Monoclinic a≠b≠c 2 CaSO4.2H2O
P
α=β=90 ≠ ϒ
0
C
5. Triclinic a≠b≠c 1 K2Cr2O7
P
α≠β≠90 ≠ϒ0
6. Trigonal a=b=c 1 Calcite

P
α=β=ϒ≠90 0
7. Hexagonal a=b≠c 1 SiO2

P
α=β=90 0
ϒ=1200
Here P= Primitive, I= Body Centered, F= Face Centered and C= Base Centered

14 Types of Crystal Structures or Bravais Lattices Diagrams:

MILLER INDICES
The reciprocals of the intercepts made by the plane on crystallographic axis are called
Miller Indices.
Procedure to Find Miller Indices :
(1) Note down the intercepts

(2) Take the reciprocals of the intercepts
(3) Find the LCM of the denominators
(4) Reduce the reciprocal intercepts in to integers by multiplying them with LCM
(5) These obtained integers enclosed in brackets without comma seperation
represent the Miller Indices (h k l) for a given plane.
Note : Example: If a plane makes intercepts as 2,3 and 4 along x,y and z-axes
respectively then steps to find Miller Indices
Step 1: Intercepts are 
2, 3, 4
Step 2: Reciprocal intercepts 
1/2,1/3,1/4
Step 3: LCM of denominators 
12
Step 4: Multiply the reciprocal intercepts with LCM 1/2*12 1/3*12 1/4*12
Step 5: Miller Indices are (6 4 3)
Important Salient Features of Miller Indices:

(1).Miller Indices give the orientation of crystal plane
(2).Plane parallel to any coordinate axes will have infinite intercept
(3).Plane passing through origin is defined in terms of a parallel plane having non-zero
intercepts.
(4).All parallel planes have same Miller Indices
(5).If the intercept is negative then its corresponding Miller Index value is represented
by bar over it.
(6). If (h k l) are the Miller Indices then a/h, b/k and c/l are the intercepts for
corresponding lattice parameters a,b and c

EXAMPLE DIAGRAMS OF VARIOUS PLANES OF CRYSTAL FOR DIFF.MILLER INDICES

RELATION BETWEEN INTERPLANAR DISTANCE AND LATTICE PARAMETERS

BASIC INFORMATION RELATED TO CUBIC CRYSTAL STRUCTURES:
Atomic Radius: It is half of the distance between any two successive atoms.
For simple Cubic unit cell atomic radius r = a/2
For BCC unit cell atomic radius r = √3 a/4
For FCC unit cell atomic radius r = a/2√2
Co-ordination Number: It is the no of nearest neighbouring atoms to a particular atom.
For simple Cubic unit cell co-ordination Number = 6
For BCC unit cell co-ordination Number = 8
For FCC unit cell co-ordination Number = 12
No of atoms in the unit cell : It is the total no of atoms in the unit cell
For simple Cubic Number of atoms in the uint cell = 1
For BCC Number of atoms in the uint cell = 2
For FCC Number of atoms in the uint cell = 4
Atomic Packing Fraction or Packing Fraction : It is the ratio of total volume occupied
by atoms in the unit cell to the total volume of the unit cell.

PACKING FRACTION FOR (SC) SIMPLE CUBIC STRUCTURE :

PACKING FRACTION FOR BCC :
To find the atomic radius let us move as follows..

PACKING FRACTION FOR FCC :

DR - SF Unit1 Part1 Crystallography Notes

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Introduction:

In order to explain the arrangement of atoms or group of atoms or molecules in solids,

 Crystallography (Definition) is the study of crystal systems, arrangement and their

 Crystallography provides valuable information about the existence of new material

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 Crystalline solids have regular -periodic arrangement of atoms or group of atoms or

 Amorphous solids have no regular -periodic arrangement of atoms or group of

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(1) Space Lattice (or) Crystal Lattice (or) Lattice :

The regular-periodic arrangement of points in a three dimensional space is called

(3) Crystal Structure:

Space Lattice + Basis = Crystal Structure

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Characteristics or Properties of Unit Cell

a) Number of atoms Present in unit cell

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S.No Name of the Relation between Type of lattice Number of Examples

6. Trigonal a=b=c 1 Calcite

7. Hexagonal a=b≠c 1 SiO2

Here P= Primitive, I= Body Centered, F= Face Centered and C= Base Centered

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Procedure to Find Miller Indices :

(1) Note down the intercepts

Important Salient Features of Miller Indices:

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For simple Cubic unit cell atomic radius r = a/2

For BCC unit cell atomic radius r = √3 a/4

For FCC unit cell atomic radius r = a/2√2

Co-ordination Number: It is the no of nearest neighbouring atoms to a particular atom.

For simple Cubic unit cell co-ordination Number = 6

For BCC unit cell co-ordination Number = 8

For FCC unit cell co-ordination Number = 12

For simple Cubic Number of atoms in the uint cell = 1

For BCC Number of atoms in the uint cell = 2

For FCC Number of atoms in the uint cell = 4

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To find the atomic radius let us move as follows..

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