MODULE – V CRYSTAL PHYSICS

1. What are the classifications of solid materials?

Based on the internal atomic structures, the solids are broadly classified as
(i) Crystalline materials
(ii) Non crystalline or amorphous materials

2. Define crystalline materials.

The materials in which the atoms are arranged in a regular and periodic pattern
(systemic pattern) in a three dimensional array are known as crystalline materials.

3. What are the classifications of crystalline materials?

Crystalline materials are classified as (a) Single crystal (b) Poly crystal

4. Define single crystalline materials.

❖ If the periodic arrangement of atoms extends up to the entire volume of the solid,
then it is known as single crystalline materials.
❖ They have infinite periodicity.
❖ They are produced artificially from their vapour or liquid state.
Eg: Ruby rods in Ruby Laser, GaAs crystals in LEDs and Silicon chips ICs

5. Define polycrystalline materials

❖ Polycrystalline materials are defined as an aggregate of small crystals (or) grains

separated by well defined grain boundaries.
❖ Each individual grain has perfect orientation and long range order but grain to
grain orientation varies.
❖ Poly crystals have local periodicity.

6. What are amorphous (or) non crystalline materials?

Amorphous means “without form”
The materials in which atoms are arranged in an irregular pattern (random
pattern) are known as non crystalline solids.
Examples: Plastic, Rubber & Glass.

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7. Difference between crystalline and non-crystalline materials

S. No Crystalline materials Non-crystalline materials

1 Atoms are arranged in regular fashion Atoms are arranged in random

fashion

2 They have a definite and regular They do not have a definite and
geometrical shape regular geometrical shape

3 They are anisotropic. They are isotropic.

4 They have a sharp melting point. They do not have a sharp melting
point.

5 Examples: Cu, Fe, NaCl, Diamond Examples: Glass, Plastic, Rubber

8. Define crystallography.
Crystallography is the branch of science that deals with the geometric description
of crystals and their internal arrangement.

9. Define lattice and lattice points.

Lattice is a purely geometrical which consists of a number of points periodically
arranged in a two dimensional plane. Lattice points are used to designate the position
of atoms/molecules in the crystal lattice.
10. Define space lattice.
A space lattice is defined as an infinite array of points in three dimensions in
which every point has an identical environment to that of every other point in the
array.

11. What is the basis (or) motif?

Basis is defined as an unit assembly of atoms or molecules with respect to the
position of lattice points, identical in composition, arrangement and orientation.

12. How is crystal structures formed?

The crystal structure is formed by the addition of basis to every lattice point of
lattice. Space Lattice + Basis → Crystal Structure

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13. Define unit cell.
The smallest geometric figure, the repetition of which gives the entire crystal
structure is known as a unit cell.
It is the fundamental building of the crystal structure.

14. What is a primitive cell?

The unit cell formed by the primitives a, b and c is called a primitive cell. It has
only one lattice point. It is the smallest type of unit cell.
Eg: Simple Cubic (SC) structure

15. What is a non-primitive cell?

If there is more than one lattice point in a unit cell, then it is called a non-
primitive cell.
Eg: Body Centered Cubic (BCC) structure & Face Centered Cubic (FCC) structure

16. Write down the basic lattice parameters of a unit cell.

The intercepts a, b and c and interfacial angles α β and γ are the basic lattice
parameters of the unit cell because they determine the size and shape of the unit
cell and hence the crystal lattice.

17. Name the seven crystal systems.

1. Cubic 2. Tetragonal 3. Orthorhombic 4. Monoclinic 5. Triclinic
6. Trigonal or Rhombohedral and 7. Hexagonal.

18. What are Bravais lattices?

Bravais, in 1848, showed that there are only fourteen ways of arranging points
in space so that each point has identical surroundings. These fourteen possible
space lattices of the seven crystal systems are called Bravais lattices.

19. What are the characteristics of a unit cell?

❖ Number of atoms/unit cell (or) Effective number (n)
❖ Atomic radius (r)
❖ Coordination number (N)
❖ Atomic Packing Factor (APF)

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20. Define the number of atoms/unit cell.
It is defined as the total number of atoms shared by a unit cell.

21. Define atomic radius.

It is defined as half of the distance between any two nearest neighbouring
atoms of the same kind.

22. What is the coordination number?

It is defined as the number equidistance nearest neighbouring atoms to a
particular atom.

23. Define atomic packing factor.

Atomic packing factor is the ratio of volume occupied by the atoms in a unit cell
to the total volume of the unit cell. It is also called packing fraction.
It is a ratio of the volume occupied by the atoms in a unit cell (v) to the total
volume of the unit cell (V).

24. Define lattice planes.

A set of parallel and equally spaced planes which are formed with respect to
lattice points known as lattice planes.

25. How to designate a plane in a crystal lattice?

Miller introduced a set of three numbers (h k l) to designate a plane in a crystal.

26. What are Miller indices?

Miller indices are defined as the reciprocal of the intercepts made by the plane on
the crystallographic axes which are reduced to smallest integers.

27. What are the steps involved for the determination of Miller indices?
Step 1: Find the intercepts
Step 2: Find the coefficients of the intercepts
Step 3: Find the reciprocal of the intercepts
Step 4: Convert into the smallest possible integers by multiplying the reciprocals
with their LCM
Step 5: Enclose within the brackets
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28. Find the Miller indices from the given plane.

Step 1: Find the intercepts made by the plane - 2a: 2b: 1c

Step 2: Find the coefficient of the intercepts - 2: 2: 1

Step 3: Find the reciprocal of these numbers - 1/2:1/2:1/1

Step 4: Convert these reciprocals into whole number by multiplying each and every
reciprocals with LCM. i.e. since LCM is 2, we get = 1: 1 : 2

Step 5: Enclose the number in a bracket - (1 1 2)

29. Mention the salient features of Miller Indices.

All equally spaced parallel planes have the same miller indices (h k l)

A Plane parallel to one of the coordinate axes has an intercept of infinity and hence

the miller indice value will be ‘0’

Miller indices should be endorsed within bracket without bracket

Negative miller indices are represented by a bar over the number

30. What is meant by crystal growth?

Crystal growth is a process in which a single crystal is grown from vapour or
solution or melt.
31. What are the different crystal growth techniques?
a. Melt growth b. Solution growth c. Gel growth d. Vapour growth
32. What is melt growth?
Melt growth is the process of crystallization by fusion and resolidification of
the starting materials. The factors to be considered during growth of crystals from
melt are volatility, chemical reactivity and melting point.

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33. Define polymorphism.
Poly means many and morph means shapes or forms
“The phenomenon of existence of the same substance with different crystalline
forms (shapes) is called polymorphism”. Such forms or shapes are called
polymorphs.
Eg: Ti-Al alloys, AgNO 3, CaCO3

34. Define allotropy.

Allotropy is a special case of polymorphism but limited to only elements
“If elements show polymorphism, then it is called allotropy”. (OR)
“The phenomenon of existence of an element in more than one crystalline
form”.
Eg: Carbon
PART-B

1. Explain the characteristics of a unit cell of a simple cubic system.

A simple cubic unit cell consists of eight corner atoms.

These corner atoms touch with one another.

(a) Number of atoms per Unit cell (or) Effective number (n)
“The total number of atoms shared by a unit cell is known as the effective number”.

Each and every corner atom is shared by 8 adjacent unit cells.

Hence the contribution of each corner atom to a particular unit cell is 1/8 th part of

the atom.

As there are eight corners in a cubic unit cell, the total number of atoms per unit cell
is n=1/8 × Total number of corner atoms =1/8 ×8=1

Therefore, number of atoms per unit cell (n) =1

(b) Coordination number (N)

“The number of nearest neighbouring atoms to a particular atom is known as

coordination number”.

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 Considering one corner atom ‘O’ it has 4 nearest atoms

in same plane, 1 atom above and 1 atom below ‘O’

So, Coordination number (N) = 4+1+1=6

(c) Atomic radius (r)
“It is defined as half of the distance between any two nearest neighbouring atoms of

the same kind”.

Each corner atom touches each other. If ‘r’ is radius of the
atom & ‘a’ is the distance between two atoms, then

Atomic radius, r = a/2

(d) Atomic Packing Factor (APF/PF)

“It is a ratio of the volume occupied by the atoms in a unit cell (v) to the total
volume of the unit cell (V)”.

Example: Polonium

2. Explain the characteristics of a unit cell of a body centered cubic system.

A body centered cubic unit cell consists of eight corner atoms

and one body centered atom.

The corner atoms do not touch each other. But each corner atom
touches the body centered atom along their body diagonal.

(a) Number of atoms per Unit cell (or) Effective number (n)

“The total number of atoms shared by a unit cell is known as the effective number”.

Each and every corner atom is shared by 8 adjacent unit cells.

Hence the contribution of each corner atom to a particular unit cell is 1/8 th part of
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 the atom.

But the body centered atom is not shared by any adjacent unit cells. So the body

centre atoms contribute as a whole in a unit cell.

Total share of corner atoms in one unit cell = 8 × 1/8 =1

One body center atom contribute as a whole=1

Therefore, number of atoms per unit cell (n) = 1+1=2

(b) Coordination number (N)

“The number of nearest neighbouring atoms to a particular atom

is known as coordination number”.

Considering the body centre atom: it has 8 corner atoms as the

nearest atom, so coordination number (N) = 8.

(c) Atomic radius (r)

“It is defined as half of the distance between any two nearest neighbouring atoms of

the same kind”.

The corner atoms touch the center atoms along the body diagonal.

If ‘r’ is radius of the atom & ‘a’ is side of the cube

In ΔABC, AC2 = AB2 + BC2 = a2 + a2 = 2a2 ; AC=√2a

In ΔADC, AD2 = AC2 + CD2 = 2a2 + a2 = 3a2 ; AD=√3a

If r is atomic radius, then AD=4r

So √3a= 4r ;

Atomic radius, r = √3a/4

(d) Atomic Packing Factor (APF/PF)

“It is a ratio of the volume occupied by the atoms in a unit cell (v) to the total
volume of the unit cell (V)”.

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 Therefore, 68% is occupied by atoms & 32% is vacant.

Example: Iron, Sodium

3. Explain the characteristics of a unit cell of face centered cubic

system.
A face centered cubic unit cell consists of eight corner atoms
and six face centered atoms.
The corner atoms do not touch each other. But each corner atom
touches the face centered atom along their face diagonal.

(a) Number of atoms per Unit cell (or) Effective number (n)

“The total number of atoms shared by a unit cell is known as the effective number”.

Each and every corner atom is shared by 8 adjacent unit cells.

Hence the contribution of each corner atom to a particular unit cell is 1/8 th part of

the atom.
Each face centered atom is shared by 2 adjacent unit cells. Hence the contribution

of each face centered atom to a particular unit cell is 1/2 th part of the atom.

Total share of corner atoms in one unit cell = 8 × 1/8 =1

Total share of face atoms in one unit cell = 6 × 1/2 =3

Therefore, number of atoms per unit cell (n) = 1+3=4

(b) Coordination number (N)

“The number of nearest neighbouring atoms to a particular atom is known as
coordination number”.
Considering any one corner atom, there are 4 face atoms in the same plane, 4 face
atoms above the plane and 4 face atoms below the plane.

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 So, coordination number (N) = 4+4+4= 12

(c) Atomic radius (r)

“It is defined as half of the distance between any two

nearest neighbouring atoms of the same kind”.

The corner atoms touch the center atoms along the body diagonal.

If ‘r’ is radius of the atom & ‘a’ is side of the cube

In Δ ABC, AC2 = AB2 + BC2 = a2 + a2 = 2a2; AC=√2a

If r is atomic radius, then AC=4r

So √2a= 4r ;

Atomic radius, r = √2a/4

(d) Atomic Packing Factor (APF/PF)

“It is a ratio of the volume occupied by the atoms in a unit cell (v) to the total
volume of the unit cell (V)”.

So 74% is occupied by atoms & 26% is vacant.

Example: Copper, Aluminium

4. Describe the structure of HCP crystal. Obtain the relation between ‘c’ and ‘a’
and hence calculate atomic packing factor
A hexagonally close packed structure has there are 3 layers of atoms namely top,
bottom and middle layer.
The top and bottom layer consists of 6 corner atoms and one base centered atom
individually.
In addition to corner and base atoms, there are 3 atoms in the middle layer.

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 The distance between any two nearest neighbouring atoms
is ‘a’and the height of the unit cell is ‘c’.
The middle layer atoms are located at a distance c/2 from
both top and bottom layers.

(a) Number of atoms per Unit cell (or) Effective number (n)

“The total number of atoms shared by a unit cell is known as

the effective number”.

Each and every corner atom is shared by 6 adjacent unit cells. Hence the

contribution of each corner atom to a particular unit cell is 1/6th part of the atom.

Each base centered atom is shared by 2 adjacent unit cells. Hence the contribution

of each base centered atom to a particular unit cell is 1/2 th part of the atom.
But the middle layered atoms are not shared by any adjacent unit cells. So these

atoms contribute as a whole in a unit cell.

Total share of corner atoms in one unit cell = 12 × 1/6 =2

Total share of base atoms in one unit cell = 2 × 1/2 =1

Middle layer atoms contribute as a whole=3

Therefore, number of atoms per unit cell (n) = 2+1+3=6

(b) Coordination number (N)

“The number of nearest neighbouring atoms to a particular atom is known as

coordination number”.

Consider face center atom in bottom layer of unit cell 1.

It is surrendered by 6 corner atoms at same layer.

Further, it has 3 atoms in the middle layer of the unit cell 1

and 3 more atoms in the middle layer of the unit cell 2.

So, coordination number (N) = 6+3+3= 12

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(c) Atomic radius (r)
“It is defined as half of the distance between any two nearest neighbouring atoms of

the same kind”.

Each corner atom touches each other. If ‘r’ is radius of the
atom & ‘a’ is the distance between two atoms, then

Atomic radius, r = a/2

(d) c/a ratio

Let us consider the triangle in the bottom layer of the HCP unit cell to calculate c/a

ratio. Let ‘c’ be the height of the unit cell and ‘a’ be the distance between two

nearest neighbouring atoms. Consider the triangle ABO in the bottom layer. Here,

A, B and O are the atoms of the bottom layer and the middle layer atom ‘C’ lie at at

a distance ‘c/2’ from the base.

In Δ ABY,

AY
cos 30=
AB
AY=ABcos 30
a 3
 AY=
2

But X is orthocenter.

2 2 a 3 a
AX= AY AX= AX=
3 3 2 3

In Δ ACX, AC2 = AX2 + CX2

2 2
 a  c a 2 c2 c2 a2
a     
2
a 
2
 a 
2

 3 2 3 4 4 3

c 2 3a 2  a 2 2a 2 c2 8
  
4 3 3 a2 3

c 8
  1.633
a 3

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(e) Atomic Packing Factor (APF/PF)

“It is a ratio of the volume occupied by the atoms in a unit cell (v) to the total
volume of the unit cell (V)”.
Volume occupied by the atoms in a unit cell,
v=number of atoms/unit cell × volume of one atom

4
v=6× πr 3 But r =a/2
3
3
4 a
v=6× π  
3 2

 v=πa 3

Volume of the cell (V) = Area of base × height

Area of the base = 6 × area of Equivalent triangle

Area of triangle = ½ × base × height

= ½×BO×AY

= ½ × a × √3a/2

3 3a 2

2

3 3a 2
Volume of the unit cell, V  ×c
2

3 3a 2 c
 V=
2

Example: Zinc, Magnesium

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5. Derive an expression for interplanar distance for a cubic lattice.

“Interplanar distance or ‘d’ spacing is the distance between any two successive

planes".

Consider a plane ABC in a crystal with lattice constant ‘a’.

This plane ABC is parallel to the plane which passes through the origin.

A normal ON is drawn to the plane ABC which makes angles α / , β / and γ / with

respect to X, Y and Z axes respectively.

In general,

OA:OB:OC=a/h:b/h:c/l

OA:OB:OC=a/h:a/h:a/l (since a=b=c for Cubic structure)

where h, k, l are the indices of the plane.

From the geometry right angle triangles OAN, OBN and OCN, we have

From the law of direction cosines,

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 cos2 α + cos 2 β + cos2 γ = 1

Substituting for cos α, cos β and cos γ from above equation we get

This equation relates interplanar distance ‘d’ cube edge ‘a’ and miller indices

(h k l).

6. Explain the Czochralski technique for growing crystals.

Principle - It is a crystal pulling technique of growing a crystal gradually by

condensing the melt. It is nothing but liquid - solid phase transition by a

seed crystal.

Description
The pure material which is to be grown in the form of a single
crystal is taken in the crucible.
It is heated using an induction heater above the melting point.
Thus melt is obtained in the crucible.
A defect free single crystal called seed crystal is introduced
into the melt by the crystal holder.
A small portion of seed crystal which is immersed in the melt is initially melted.
The seed crystal is rotated and pulled out of the melt by maintaining the grown crystal
without disturbing the melt.
The diameter of the grown crystal is controlled by the temperature of the melt and rate
of pulling.

Advantages:

1) A crystal which is free from crystal defects can be produced by this technique.

2) Large single crystals can be produced by this technique.

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3) It allows chemical composition of the crystal.
4) It enables easy control of the atmosphere during growth.

Limitations:

1) High vapour pressure of the materials can be produced.

2) May produce contamination of melt by the crucible.

7. Draw the planes from given Miller indices.

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