UNIT III

QUESTIONS
 QUESTIONS (2019)
UNIT -III
Q1.(a)
(i) Deduce the Miller indices of a set of parallel
planes which make intercepts in the ratio of (a:2b)
on the x and y axis and parallel to z-axis , a,b,c being
the primitive vectors of a lattice.
(ii) Also, calculate the inter-planar distance ‘d’ of the
plane taking the lattice to be cube with a=b=c=5Å.
Ans: The lattice points in a 3D lattice are given by
the following expression:
𝑟 = 𝑝𝑎 + 𝑞𝑏 + 𝑠𝑐
In this case: 𝑝 = 1 ; 𝑞 = 2 ; 𝑠 = ∞
 Q1(a)
MILLER INDICES
• MILLER INDICES
• Taking reciprocals
1 1 1
1, , ⇒ [1, , 0]
2 ∞ 2
• Multiplying by the LCM 2
2,1,0
• Thus, the Miller Plane corresponding to the
intercepts (1,2,∞) is [2,1,0]
 Q1(a)
INTERPLANAR DISTANCE
• The lattice is a cube with 𝑎 = 𝑏 = 𝑐 = 5Å
• The Miller Indices are [2,1,0]
• The inter-planar distance is
𝑎 5Å 5Å
𝑑= = =
ℎ2 +𝑘 2 +𝑙2 22 +12 +02 5
𝑑 = 2.236Å
 Q1(b)
Q1(b) In a simple cubic crystal
(i) find the ratio of intercepts of three axes by
[1 2 3] plane.
(ii) Find the ratio of spacing of [110] and [111]
planes.
Ans:
(i) [1 2 3] ⇒ h=1, k=2, l=3;
Taking reciprocal
1 1 1
, , (6,3,2)
1 2 3
Thus, 𝑟 = 6𝑎 + 3𝑏 + 2𝑐
 Q1(b)
𝑎 𝑎Å 𝑎Å
(ii) 𝑑110 = = =
ℎ2 +𝑘 2 +𝑙2 12 +12 +02 2
𝑎 𝑎Å 𝑎Å
𝑑111 = = =
ℎ2 +𝑘 2 +𝑙2 12 +12 +12 3
𝑑110 𝑎 √3
Thus, = = 0.816
𝑑111 √2 𝑎
 Q1(c )
Q1(c ) Describe in detail the Laue method and also
describe the usefulness of this method.
Ans: The Von Laue method first thought of using
the crystals as Diffraction Gratings.
The X-rays are of shorter wavelength and thus can
be scattered from different atoms , producing well
defined spots forming a diffraction pattern.
This provided an experimental verification for the
Bragg’s Law.
*u may look into P-637 Engineering Physics-
Bhattacharya –Tandon by OXFORD.
LAUE METHOD
 Q2(a)
Q2(a) Copper has FCC structure and the atomic radius is
1.278Å. Calculate the density of copper crystal .(Atomic
weight of copper = 63.54, 𝐴𝑣𝑜𝑔𝑎𝑑𝑟𝑜′ 𝑠 𝑛𝑢𝑚𝑏𝑒𝑟 =
6.023 𝑥 1023 ).
𝑀𝑎𝑠𝑠
Ans: 𝐷𝑒𝑛𝑠𝑖𝑡𝑦 =
𝑉𝑜𝑙𝑢𝑚𝑒
If there are ‘n’ atoms in a given unit cell,
𝑛 𝑥 𝐴𝑡𝑜𝑚𝑖𝑐 𝑤𝑒𝑖𝑔ℎ𝑡
𝑀𝑎𝑠𝑠 𝑜𝑓 𝑡ℎ𝑒 𝑎𝑡𝑜𝑚 =
𝐴𝑣𝑜𝑔𝑎𝑑𝑟𝑜′ 𝑠 𝑛𝑢𝑚𝑏𝑒𝑟

4 𝑥 63.54 −23
𝑀𝑎𝑠𝑠 𝑜𝑓 𝑒𝑎𝑐ℎ 𝑎𝑡𝑜𝑚 = = 42.198𝑥10
6.023 𝑥 1023
3 4𝑟 3 4 𝑥 1.278Å 3
𝑉𝑜𝑙𝑢𝑚𝑒 = 𝑎 = ( ) = ( ) = (3.62Å)3
2 2
(as copper is a FCC structure , the number of atoms per
unit cell is 4.)
Density of FCC Copper Crystal
42.198 𝑥 10−23 𝑔 1
𝐷𝑒𝑛𝑠𝑖𝑡𝑦 =
(3.62 𝑥 10−8 )3 (𝑚𝑜𝑙) 𝑐𝑚3
𝑔
𝐷𝑒𝑛𝑠𝑖𝑡𝑦 = 8.89 3
𝑐𝑚
 Draw Planes
(b) Draw the planes
ത
(010),(100), 200 𝑎𝑛𝑑 110
Ans: *Attempt this using the REFERENCE BOOK
BY OXFORD…Bhattacharya-Tandon.
 Q2
(c ) Copper has FCC structure and the atomic radius
is 0.127𝑛𝑚. Find the ratio of the spacing of (111)
and (123) planes.
4𝑟 4𝑥 0.127𝑛𝑚
Ans: 𝑎= = = 0.359𝑛𝑚
2 2
0.359𝑛𝑚 0.359
𝑑111 = = = 0.207𝑛𝑚
ℎ2 +𝑘 2 +𝑙 2 12 +12 +12

0.359𝑛𝑚 0.359
𝑑123 = =
ℎ2 + 𝑘 2 + 𝑙 2 12 + 22 + 32
= 0.09598𝑛𝑚
𝑑111 0.207
= = 2.156
𝑑123 0.09598
 Q2
(d ) Which type of the cubic crystal structures has
closest packing of atoms ? How many nearest
neighbours does an atom in this type of crystal
have?
Ans: There are the following type cubic structures:
1. BCC(Body centered)
2. FCC (Face centered)
3. SCC (Simple Cubic)
4. HCP(Hexagonal Close Packed)
Of these if we calculate the packing factor , then the
FCC and the HCP structures have 74% of the volume
occupied by the atoms and 26% is vacant space.
BCC Vs FCC Vs HCP
 FCC structure
4𝑟
𝑎= ;
2
Thus, the volume being
3 64 3
𝑉=𝑎 = 𝑟
2 2
Packing Fraction
𝜋 2
𝑓𝑓𝑐𝑐 = ≅ 0.74
6
Each atom has 12 nearest neighbours, 6
surrounding it in the same layer , 3 in the layer
above , 3 in the layer below. The co-ordination
number of the structure is 12.
 HCP structure
For the HCP structure
𝑐 8
= = 1.63
𝑎 3
Where by convention ‘a’ is the intercept on the
x-axis and ‘c’ is on the z-axis.
Packing fraction
𝜋
𝑓= = 0.74
3 3
HCP Vs FCC
(e) Sodium crystallizes in BCC structure . If the
radius of the sodium atom is 1.55nm, compute
the spacing between the (111)planes.
Ans : For the BCC structure :
4𝑥𝑟 4 𝑥 1.55𝑛𝑚
𝑎= = = 3.583𝑛𝑚
3 3
3.583𝑛𝑚 3.583𝑛𝑚
𝑑111 = = = 2.068𝑛𝑚
12 + 12 + 12 3
 Q3
(a) Establish the relation between the lattice constant of
a cubic crystal and the density of the crystal material.
𝑀𝑎𝑠𝑠
Ans: 𝐷𝑒𝑛𝑠𝑖𝑡𝑦 𝑜𝑓 𝑡ℎ𝑒 𝑐𝑟𝑦𝑠𝑡𝑎𝑙 =
𝑉𝑜𝑙𝑢𝑚𝑒
If there are ‘n’ atoms in the unit cell of a given atom:
𝑛 𝑥 𝐴𝑡𝑜𝑚𝑖𝑐 𝑊𝑒𝑖𝑔ℎ𝑡
𝑀𝑎𝑠𝑠 =
𝐴𝑣𝑎𝑔𝑎𝑑𝑟𝑜′ 𝑠 𝑁𝑢𝑚𝑏𝑒𝑟
If the lattice constant for any given cubic structure is ‘a’ :
𝑉𝑜𝑙𝑢𝑚𝑒 = 𝑎3
𝑛 𝑥 𝐴𝑡𝑜𝑚𝑖𝑐 𝑤𝑒𝑖𝑔ℎ𝑡
𝐷𝑒𝑛𝑠𝑖𝑡𝑦 = 𝜌 =
𝐴𝑣𝑎𝑔𝑎𝑑𝑟𝑜′ 𝑠 𝑛𝑢𝑚𝑏𝑒𝑟 𝑥 𝑎3
 Q3
(b) What are the different types of point defects
in crystal lattice ? Show that the number of
Schottky defect in a given temperature is
proportional to N, the number of atoms present
in the crystal.
Ans: Localised disruptions in the otherwise
perfect arrangement of atoms in a crystal
structure are called ‘point defects’.
These defects are of two types:
1. Schottky Defect
2. Frenkel Defect
Schottky Defect
 Schottky Defect
Distinct Features Of Schottky Defect :
1. This usually occurs in ionic crystal . We know that there is a very small
difference in the size between cation and anion. Both the cation and anion leave
the solid crystal.
2. Atoms move out of the crystal permanently.
3. Generally two vacancies are formed.
4. The density of the solid decreases considerably.
Examples
Some of the common example of salts where Schottky defect is prominent
include Sodium Chloride (NaCl), Potassium Chloride (KCl), Potassium Bromide
(KBr), Caesium Chloride (CsCl) and Silver Bromide (AgBr).
DERIVATION FOR THE SCHOTTKY DEFECT:
Before we derive the Schottky defect details using the statistical mechanics
principle , there are a few details that we need to understand about the crystal
structure:
• There is an energy requirement for the formation of a defect. Such a reaction
is is inherently endothermic.
• When one says that a system is in thermal equilibrium , it means that there are
some internal parameters like the temperature, pressure and chemical
potential and external parameters like the volume(V), entropy and number of
particles(N) that have attained a certain state. (let us say a crystalline form).
HELMHOLTZ ENERGY, GIBBS ENERGY ,
ENTHALPY
• For any given state of a system , depending on
its interaction with the surroundings there is a
term called the thermodynamic potential .
This is also refereed to as the Helmholtz free
energy F(V,T,N).
• For a crystal, this thermodynamic potential is
typically referred to as the Gibb’s free energy
or the Enthalpy G(P,T,N):
𝐺 𝑃, 𝑇, 𝑁 = 𝐻 − 𝑇𝑆 where H is
the enthalpy of the system and S is the entropy.
 SCHOTTKY DEFECT

• Thus, when considering defects in crystal , the thermal equilibrium is

nothing but the minimum of the free enthalpy of the crystal.
⇒ ∆𝐺 = 0
∆𝐻𝑠
• 𝑛𝑠 = 𝑁 exp −
𝑘𝐵 𝑇
Where
𝑛𝑠 𝑖𝑠 𝑡ℎ𝑒 𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑆𝑐ℎ𝑜𝑡𝑡𝑘𝑦 𝑑𝑒𝑓𝑒𝑐𝑡𝑠 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑎𝑡 𝑎 𝑡𝑒𝑚𝑝𝑒𝑟𝑎𝑡𝑢𝑟𝑒 𝑇𝐾,
𝑡ℎ𝑒𝑟𝑒 𝑎𝑟𝑒 𝑁 𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑐𝑎𝑡𝑖𝑜𝑛𝑠 𝑎𝑛𝑑 𝑁 𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑛𝑖𝑜𝑛𝑠 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 ,
∆𝐻𝑠 𝑖𝑠 𝑡ℎ𝑒 𝑒𝑛𝑡ℎ𝑎𝑙𝑝𝑦 𝑟𝑒𝑞𝑢𝑖𝑟𝑒𝑑𝑡𝑜 𝑓𝑜𝑟𝑚 𝑎 𝑑𝑒𝑓𝑒𝑐𝑡.
• The Boltzmann formula for entropy is given as :
𝑆 = 𝑘𝐵 𝑙𝑛 𝑊
where W is the occupation number and is defined by the statistical
mechanics. As the cations and anions are following the Fermi-Dirac
statistics , the occupation W is given as :
𝑊 = 𝑊𝑐 𝑊𝑎
 SCHOTTKY DEFECT
• The number of ways in which one can distribute
anion vacancies is:
𝑁!
𝑊𝑎 =
(𝑁−𝑛𝑠 )!𝑛𝑠 !
• The number of ways in which one can distribute
cation vacancies is :
𝑁!
𝑊𝑐 =
(𝑁−𝑛𝑠 )!𝑛𝑠 !
𝑁!
Thus, 𝑊 = 𝑊𝑐 𝑊𝑎 = ( )2
(𝑁−𝑛𝑠 )!𝑛𝑠 !
𝑁!
• Thus, 𝑆 = 𝑘𝐵 𝑇 ln( )2
(𝑁−𝑛𝑠 )!𝑛𝑠 !
 SCHOTTKY DEFECT
• Using Stirling’ formula:
ln 𝑁! = 𝑁𝑙𝑛𝑁 − 𝑁 𝑓𝑜𝑟 𝑁 ≥ 1
𝑆 = 2𝑘𝐵 𝑇 𝑙𝑛𝑁 − (𝑁 − 𝑛𝑠 ) ln 𝑁 − 𝑛𝑠 − 𝑛𝑠 ln 𝑛𝑠
• If the enthalpy change for the formation of a single defect is
∆𝐻𝑠 , then that for 𝑛𝑠 defects is:
∆𝐺 = 𝑛𝑠 ∆𝐻𝑠 − 2𝑘𝐵 𝑇(𝑁𝑙𝑛𝑁 − 𝑁 − 𝑛𝑠 ln 𝑁 − 𝑛𝑠 − 𝑛𝑠 ln 𝑛𝑠 )
The Gibb’s free energy has to be minimum with respect to the
total number of defects:
𝑑𝐺 𝑑
= ∆𝐻𝑠 − 2𝑘𝐵 𝑇(𝑁𝑙𝑛𝑁 − 𝑁 − 𝑛𝑠 ln 𝑁 − 𝑛𝑠 − 𝑛𝑠 ln 𝑛𝑠
𝑑𝑛𝑠 𝑑𝑛𝑠
=0
 SCHOTTKY DEFECT
∆𝐺 = ∆𝐻𝑠 − 2𝑘𝐵 𝑇 ln 𝑁 − 𝑛𝑠 + 1 − 𝑙𝑛𝑛𝑠 − 1 =0
(𝑁−𝑛𝑆 )
⇒ ∆𝐻𝑠 = 2𝑘𝐵 𝑇 𝑙𝑛 𝑛𝑠

∆𝐻𝑆
⇒ 𝑛𝑠 = 𝑁 − 𝑛𝑠 exp
2𝑘𝐵 𝑇
∆𝐻𝑆
𝐴𝑠 𝑁 ≥ 𝑛𝑠 ⇒ 𝑛𝑠 = 𝑁𝑒𝑥𝑝
2𝑘𝐵 𝑇
𝐼𝑛 𝑡𝑒𝑟𝑚𝑠 𝑜𝑓 𝑚𝑜𝑙𝑒 , 𝑡ℎ𝑒 𝑒𝑛𝑡ℎ𝑎𝑙𝑝𝑦 𝑟𝑒𝑞𝑢𝑟𝑒𝑑 𝑡𝑜 𝑝𝑟𝑜𝑑𝑢𝑐𝑒 𝑜𝑛𝑒 𝑚𝑜𝑙𝑒 𝑜𝑓 𝑆𝑐ℎ𝑜𝑡𝑡𝑘𝑦 𝑑𝑒𝑓𝑒𝑐𝑡𝑠 𝑖𝑠 ∶
∆𝐻𝑆
𝑛𝑠 = 𝑁𝑒𝑥𝑝
2𝑅𝑇
Hence proved that the tendency to produce Schottky defect is directly proportional to the number of
atoms (N) present in a crystal.
 Q4
(a) A certain crystal has lattice constant of
4.24Å, 10Å 𝑎𝑛𝑑 3.66Å on the x,y,z axis
respectively. Determine the Miller indices of
the plane of this crystal having 4.24Å, 5Å
𝑎𝑛𝑑 1.83Å as its x,y,z intercepts respectively.
Ans: 𝑎 = 4.24Å; 𝑏 = 10Å; 𝑐 = 3.66Å
Type equation here.
 Q4 (b )
(b ) Define the following (a) Unit Cell (b )
Primitive cell (c ) Primitive lattice (d) Brava is
lattice.
Ans: Unit Cell : The fundamental unit that
undergoes a regular repetition to create the
lattice is called a ‘Unit Cell’. This is referred to as
the basic building block of the entire crystal.
UNIT CELL /PRIMITIVE CELL

• Thus, u can see that

unit cell is the smallest
building block.
• Also, the unit cells may
vary in size, but the
smallest unit cell that
can generate a crystal
is called a ‘primitive
cell’.
UNIT CELL /PRIMITIVE CELL
UNIT
CELL/PRIMITIVE
CELL
 BRAVAIS LATTICE
• Any lattice point is indistinguishable from another
lattice point, as long as the displacement vector
between the two lattice points can be
represented by the following equation:
𝑟 = 𝑝𝑎 + 𝑞𝑏 + 𝑠𝑐
Where p , q ,s are integers and the vectors a, b, c are
called the basis vectors.
• Seven unique lattice point arrangements can be
used to fill up a three dimensional space.
 BRAVAIS LATTICE
• The seven unique arrangements are called the
‘Crystal systems’ which are
1. Cubic
2. Tetragonal
3. Orthorhombic
4. Rhombohedral (or trigonal)
5. Hexagonal
6. Monoclinic
7. Triclinic
 BRAVAIS LATTICE
• There are a total of 14 distinct arrangements
of lattice points and these are called the
Bravais lattices named after Auguste Bravais
(1811-1863), a French crystallographer . The
14 Bravais lattices are:
1. Body centered cubic
2. Body centred tetragonal
3. Body centered orthorhombic
4. Base centered orthorhombic
5. Face centred orthorhombic
 Bravais Lattice
8. Rhombohedral
9. Base centred monoclinic
10. Triclinic
11. Hexagonal
12.Simple tetragonal
13.Simple orthorhombic
14.Simple Monoclinic
 Q4 (c )
(c ) Ge crystallises in diamond form structure with 8 atoms per
unit cell. If lattice constant is 5.62Å, calculate the density of
Ge.(72.64au)
Ans: 𝐷𝑒𝑛𝑠𝑖𝑡𝑦 𝑜𝑓 𝑡ℎ𝑒 𝑐𝑟𝑦𝑠𝑡𝑎𝑙=( 𝑀𝑎𝑠𝑠)/𝑉𝑜𝑙𝑢𝑚𝑒
If there are ‘n’ atoms in the unit cell of a given atom:
𝑀𝑎𝑠𝑠=(𝑛 𝑥 𝐴𝑡𝑜𝑚𝑖𝑐 𝑊𝑒𝑖𝑔ℎ𝑡 )/(𝐴𝑣𝑎𝑔𝑎𝑑𝑟𝑜^′ 𝑠
𝑁𝑢𝑚𝑏𝑒𝑟)
If the lattice constant for any given cubic structure is ‘a’ :
𝑉𝑜𝑙𝑢𝑚𝑒=𝑎^3
𝐷𝑒𝑛𝑠𝑖𝑡𝑦=𝜌= (𝑛 𝑥 𝐴𝑡𝑜𝑚𝑖𝑐 𝑤𝑒𝑖𝑔ℎ𝑡)/(𝐴𝑣𝑎𝑔𝑎𝑑𝑟𝑜^′ 𝑠 𝑛𝑢𝑚𝑏𝑒𝑟 𝑥
𝑎^3 )
8𝑥 72.64𝑔 3
𝐷𝑒𝑛𝑠𝑖𝑡𝑦 = = 5.43𝑔/𝑐𝑚
6.023𝑥1023 𝑥5.623 𝑥10−24 𝑐𝑚3
 Q5 (a)
(a) Describe with a proper diagram the following terms:
(i) Packing factor (ii) Co-ordination number
(iii)FCC
Ans :
1. Packing Factor
The atoms in a crystal are visualized as hard spheres such
that they touch their neighbours. The fraction of space
occupied by atoms is called the packing factor
𝑎𝑡𝑜𝑚𝑠
𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑥 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑒𝑎𝑐ℎ 𝑎𝑡𝑜𝑚
𝑃𝐹 = 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
(a) 12 fold

(b)8 fold
Cubic

(c ) 6 fold
Octahedral
 CO-ORDINATION NUMBER

• The co-ordination number(CN) of an atom is

the number of atoms touching this particular
atom
• The CN for any assembly indicates how tightly
and efficiently atoms are packed together in a
lattice.
• The above slide indicates the CN for different
lattice assemblies.
FCC structure
4𝑟
𝑎0 =
2
Packing
fraction
𝑉1
𝑓=
𝑉
4 3
4𝑥 𝜋𝑟
= 3
𝑎03
𝜋 2
=
6
≅ 0.74
 Q5(b)
(b) What are Miller indices. What is the difference
between (111) and 111 for Miller Indices.
Ans: MILLER INDICES
• This is a standard method of indicating planes and
directions in a crystalline material.
• The letters h, k, l define a set of parallel planes inside a
lattice, not just a single plane [hkl]
• The Miller indices can be shifted within the lattice to an
equivalent plane position by suitably rotating or
moving a unit cell.
• A set of equivalent planes is represented by curly
brackets ℎ𝑘𝑙
• Equivalent directions are expressed within
ℎ𝑘𝑙 𝑎𝑛𝑔𝑢𝑙𝑎𝑟 𝑏𝑟𝑎𝑐𝑘𝑒𝑡𝑠.
 Q6 (a)
(a) Why do we use the X-rays to study crystal diffraction. Is it possible to
observe diffraction pattern if radiation of wavelength 2𝑥 10−6 𝑚 is incident
on crystal with inter-planar spacing of 10−8 𝑐𝑚. 𝐽𝑢𝑠𝑡𝑖𝑓𝑦?
Ans:
• X-rays are electromagnetic radiation varying 0.1Å 𝑡𝑜 100Å.
• X-rays possess the wavelength that is comparable to the inter-atomic spacing
of a crystal lattice site.
• 𝑑𝑠𝑖𝑛𝜃 = 𝑛λ 𝑖𝑠 𝑡ℎ𝑒 𝐵𝑟𝑎𝑔𝑔′ 𝑠 𝐿𝑎𝑤
• 𝑑=
2𝑥 10−6 𝑚 , 𝑖𝑓 𝑤𝑒 𝑎𝑠𝑠𝑢𝑚𝑒 𝑛𝑜𝑟𝑚𝑎𝑙 𝑖𝑛𝑐𝑖𝑑𝑒𝑛𝑐𝑒 𝑎𝑛𝑑 𝑓𝑖𝑟𝑠𝑡 𝑜𝑟𝑑𝑒𝑟 𝑑𝑖𝑓𝑓𝑟𝑎𝑐𝑡𝑖𝑜𝑛
• Actually, the inter-planar spacing is of the order of 10−10 𝑚 𝑓𝑜𝑟 𝑡ℎ𝑒 𝑐𝑟𝑦𝑠𝑡𝑎𝑙.
• Thus, the inter-planar spacing of the crystal is much smaller in order
compared to the wavelength of the incident radiation.
 Q6(b)
(b) Lead has FCC structure and its body diagonal is 0.86𝑛𝑚. When X-
rays of wavelength 0.71Å undergoes diffraction from (110) plane to
produce second order maxima, calculate the glancing angle.
Ans: Lead is a FCC structure, thus:
4𝑟 4𝑥0.86𝑛𝑚
𝑎= = = 2.432𝑛𝑚
2 2
𝑎 2.432𝑛𝑚 2.432𝑛𝑚
𝑑110 = = = = 1.72𝑛𝑚
2
ℎ +𝑘 +𝑙2 2 2 2
1 +1 +0 2 2
𝑑110 𝑠𝑖𝑛𝜃 = 2 𝑥 0.71Å
2𝑥 0.71𝑥10−10 𝑚
𝑠𝑖𝑛𝜃 = = 0.0825 ⇒ 𝜃 = 4.732∙
1.72 𝑥 10−9 𝑚
 Q7(a)
(a) Calculate the packing factor in the case of BCC and FCC lattices.
Ans: PACKING FACTOR FOR BCC LATTICES
BCC LATTICE has Atoms per 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 2
4 3
𝐴𝑡𝑜𝑚𝑖𝑐 𝑣𝑜𝑙𝑢𝑚𝑒 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 𝑉1 = 2𝑥 𝜋𝑟
3
3 4𝑟
𝑟 = 4 𝑎0 ⇒ 𝑎0 = 3
3
64𝑟
𝑉𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 𝑉 = 𝑎03 =
3 3
Packing factor is given as:
4𝜋 3
𝑉1 2𝑥 3 𝑟 3
𝑓= = 3 = 𝜋 ≈ 0.68
𝑉 64𝑟 8
3 3
 PF FOR FCC LATTICES
PACKING FACTOR FOR FCC LATTICES
FCC LATTICE has Atoms per 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 4
4 3
𝐴𝑡𝑜𝑚𝑖𝑐 𝑣𝑜𝑙𝑢𝑚𝑒 𝑝𝑒𝑟 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 𝑉1 = 4𝑥 𝜋𝑟
3
2 4𝑟
𝑟= 4 0
𝑎 ⇒ 𝑎0 = 2
64𝑟 3
𝑉𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 = 𝑉 = 𝑎03 =
2 2
Packing factor is given as:
4𝜋 3
𝑉1 4𝑥 𝑟 2
3
𝑓= = 64𝑟3
= 𝜋 ≈ 0.74
𝑉 6
2 2
 Q7(b)
(b) Deduce atomic radius , co-ordination number
and packing fraction of FCC structure.
Ans:
𝑎0
𝐴𝑡𝑜𝑚𝑖𝑐 𝑟𝑎𝑑𝑖𝑢𝑠 = 𝑟 =
2
𝑓𝑜𝑟 𝐹𝐶𝐶
2
4𝑟 = 2𝑎0 ⇒ 𝑟= 𝑎0
4
For Packing fraction and CN refer to the previous
slides.
 Q7(c)
Show that spacing ‘d’ of plane (hkl) in a simple cubic lattice of side ‘a’ is
𝑎
𝑑= 2 2 2
ℎ +𝑘 +𝑙
Ans: In the figure below:
• Consider the orthogonal axes OA,OB,OC such that they are making
intercepts a/h, b/k, c/l along the three axes x, y, z on a plane [h k l] parallel
to the origin.
• The perpendicular ON is dropped on the plane passing through the origin
such that ‘d’ is the inter-planar spacing between the two planes and ON
makes angle 𝛼, 𝛽, 𝛾 with OA,OB and OC axes respectively.
Thus from the triangles ONA , ONB , ONC we have :
𝑂𝑁 𝑑 𝑂𝑁 𝑑 𝑂𝑁 𝑑
𝑐𝑜𝑠𝛼 = = 𝑎 ; 𝑐𝑜𝑠𝛽 = = 𝑏 ; 𝑐𝑜𝑠𝛾 = = 𝑐
𝑂𝐴 ( ) 𝑂𝐵 ( ) 𝑂𝐶 ( )
ℎ 𝑘 𝑙
𝑎 𝑏 𝑐
𝑑 = 𝑐𝑜𝑠𝛼 = 𝑐𝑜𝑠𝛽 = 𝑐𝑜𝑠𝛾
ℎ 𝑘 𝑙
From the cosine theorem:
𝑐𝑜𝑠 2 𝛼 + 𝑐𝑜𝑠 2 𝛽 + 𝑐𝑜𝑠 2 𝛾 = 1
ℎ2 𝑘2 𝑙2
+ + 𝑑2 = 1
𝑎2 𝑏2 𝑐2
ℎ2 𝑘 2 𝑙 2 −1Τ2
𝑑 = [ 2 + 2 + 2]
𝑎 𝑏 𝑐
For a cubic lattice a=b=c
𝑎
𝑑ℎ𝑘𝑙 = 2 2 2
Inter –Planar Spacing
Constructio
n for
Inter-Planar
Spacing
 Q7(d)
(d) Derive Bragg’s Law of crystal diffraction and give its
significance.
Ans: BRAGG’S LAW
In the fig below , there are planes defined by the position of
the atoms . An X-ray is incident on these planes, it will get
diffracted by the atoms in the planes. (Diffraction is the
deviation from the straight line path due to obstruction).Thus,
Construction: Draw perpendiculars on the diffracted rays (at
an angle 𝜃) .
The construction helps us to understand geometrically that in
the right angle triangle so formed the hypotenuse is the inter-
planar spacing ‘d’ and so the perpendicular is ‘𝑑𝑠𝑖𝑛𝜃′ .
OPTICS: The diffraction phenomenon in optics says that the
path difference has to be an integral multiple of the
wavelength of the incident radiation(in this case X-rays).
• BRAGG’S
LAW
The
perpendi
cular is
dropped
on the
incident
and
scattere
d X-Ray
at X and
Y
respectiv
ely.
 BRAGG’S LAW
Thus, the path difference is then given as :
𝑋𝐿′ + 𝐿′ 𝑌 = 𝑑𝑠𝑖𝑛𝜃 + 𝑑𝑠𝑖𝑛𝜃 = 2𝑑𝑠𝑖𝑛𝜃
Hence, we get :
2𝑑𝑠𝑖𝑛𝜃 = 𝑛λ 𝐵𝑅𝐴𝐺𝐺 ′ 𝑆 𝐿𝐴𝑊
Physical Significance:
• The Bragg’s law helps us understand the
location of atoms in any given crystal through
the simple optical phenomenon of Diffraction.