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CRYSTALLOGRAPHY

INDROTUCTION

I.

1.

No. of Atom Per Unit Cells :

THEROY

There are 8 Na + ions at the corner and each corner atom shared by 8 unit cells.
Hence contribution of corner atoms is (i.e.

1
8

8= 1)

And 6 face centered atoms & each shared by two unit cells. Hence contribution of
face centered atom is (i.e. 6

1
6

= 3)

No. of atoms per unit cell = 1 + 3 = 4

Calculation for Cl :
There are 12Cl atoms at the edges, each shared by 4-unit cells. Hence
contribution of edge centered atoms = 1

2.

4 Na + 4 Cl = 8

Co-ordination Number (CN) :

In NaCl, given anion is surrounded by 6cations or vice-versa. Hence,

Co-ordination Number = 6
Some common material like MgO, FeO, LiF exhibits this structure.

CRYSTALLOGRAPHY

3.

INDROTUCTION

THEROY

From Fig.
a = 2r+ + 2r
We cant take radius r because radius of Na+ & Cl are different .

4.

Atomic packing Factor =

(n

34 r3+ ) + (n 34 r3 )
a3

Where n = 4

Description of NaCl Structure :

a)

The space lattice of NaCl structure is FCC, with basis consist of Na+ and Cl , One
located at lattice point (0, 0, 0) and other at one half of the body

diagonal of the

cube.
b)

sub-

lattices, one composed entirely of Na+ ions having their origin at

c)

(0, 0, 0) and one composed of Cl ions having their origin at , say, (2a , 0, 0)

CRYSTALLOGRAPHY

INDROTUCTION

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d)

e)

In the formation of NaCl crystal, Na-atom loses its outermost e and

acquires

a excessive +ve charges while Cl-atom accepts one e from Na and, acquire ve
charge .
f)

There are electrostatic force of attraction between the opposite charges and
strong repulsive forces between the electronic shells of two ions

when they

come closer.
g)

When attractive and repulsive forces balance, equilibrium, reached,

resulting

in stable structure.

II.

Diamond Structure [FCC] :

Carbon atom bonded to four other carbon atom to covalent bonding.

1.

No. of Atoms Per Unit Cell :

In diamond structure, there are eight corner atoms, each corner atoms shared

by 8-unit cells. Hence the contribution of face cnetred atom is 1.

(i.e.

1
8

8= 1)

CRYSTALLOGRAPHY

INDROTUCTION

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And there are 4 inside atom which is not shared by any other unit cell
Hence n = 1 + 3 + 4 = 8

No.of atoms
Unit cell

2.

=8

Co-ordination Number (CN) :

For any corner atom of diamond, three nearest neighbours are face

atom and one nearest neighbor is inside atom belonging to that

entered

corner atom.

Hence,
Co-ordination Number = 4
For any corner atom of diamond, three nearest neighbours are face
atom and one nearest neighbours is inside atom belonging to

entered

Hence, Co-ordination Number = 4

3.

In Bcc, body centered atom touches to the corner atoms and corner

not touch to each other.

From Fig.
AB 2 = AD2 + BD2
= a2 + (a2 + a2 )

atoms do

CRYSTALLOGRAPHY

= 3a2

INDROTUCTION

AB 2 = 3a
Hence length of body diagonal is 3a .
And

1
4

, Body diagonal = 2r

3a = 2r
4

r =

3a

4.

n 34 r3

a3

For Diamond ,

n = 8, r =

3a

n 34

8
3

(4

APF =

APF = 0.34

a3

a)

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CRYSTALLOGRAPHY

4.

INDROTUCTION

Void Space :
Void Space

= (1 APF)
= (1 0.34)
= 0.66

5.

Void Space = 0.66

Packing Efficiency :

Packing efficiency = APF 100%

= 0.34 100%
= 34 %

Packing efficiency = 34 %

THEROY

CRYSTALLOGRAPHY

INDROTUCTION

THEROY

III.

a)

b)

c)

d)

It consist of two interpenetrating FCC Sub-lattice which are occupied by two

different elements and are displaced from each other by one

structure.

quarter of

body diagonal.
e)

1.

No. of Atom Per Unit Cells :

Calculation for Zn :

atoms is (i.e. 6

1
6

1
8

= 3)

Hence Total no. of Zn- atoms = 1 + 3 = 4

Calculations for S :

4 Zn + 4 S = 8

1
4

Cell.

CRYSTALLOGRAPHY

2.

INDROTUCTION

Co-ordination Number (CN) :

In ZnS, given cation is surrounded by 4 anions or vice-versa. Hence,

3.

Co-ordination Number = 4

Hence, S-present at

4.

1
4

th of body diagonal

1
rZn + rs = 3 a
4
Atomic Radius (r) = + =

(nzn

a3

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CRYSTALLOGRAPHY

INDROTUCTION

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IV.

a)

atoms in

one plane. (layer A) .

b)

Another similar layer B can be placed on top of layer A such that the
layer B occupy the alternate valleys formed by the atoms of

c)

atoms of

layer A.

If a new layer is placed on top of the B-layer such that each atom of it is exactly
above the atoms of layer A, then this new layer will be exactly identical to the layer
A & this type of stacking is repeated successively .

d)

The following layered arrangement is obtained.

---------- ABABAB ---------------

e)

This type of stacking is called HCP stacking & the structure is known as
Hexagonal close packed structure.
[Note : In FCC the third layer is not identical to A

Hexagonal Close Packed Structure [HCP] :

Hexagonal close packed (HCP) structure is one of the most metallic structure
about 25 metals exhibit this structure.

CRYSTALLOGRAPHY

1.

INDROTUCTION

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No. of Atoms Per Unit Cell :

In HCP, each corner atoms of hexagonal face is shared by six unit cells. Hence the
distribution of corner atoms is

1
6

Therefore contribution of corner atoms to the unit cell = 2 (6

1
)=2
6

There are two hexagonal face centered atoms and which is shared by two unit
cells. Hence contribution of face centered atom to the unit cell

= 2 (2

1
)=1
2

And three atoms are forming a triangle in the middle layer are there in the body
to cell and they are not shared by adjacent cells. Hence,

No.of atoms
Unit cell

2.

=2+1+3=6

Co-ordination Number (CN) :

For any face centered atom, there are 6-nearest neighbours in same hexagonal
plane, 3-nearest neighbours are above the plane & 3-neearest neighbours are
below the plane.
Hence,
Co-ordination Number = 12

CRYSTALLOGRAPHY

3.

INDROTUCTION

THEROY

The atoms are in contact along the edges of hexagonal.
a = 2r

5.

r =

a
2

a
2

Atomic packing Factor =

n 34 r3
Volume of unit cell

---(1)

Volume of unit Cell :

Volume of Hexagon = Area of bade hight of cell

---(2)

Area of Base = 6 Area of ABC

Area of ABC =

1
2

base height

Draw r AD to BC .

Sin 60 =

=
AB

a

---(3)

CRYSTALLOGRAPHY

INDROTUCTION

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Height of ,

3a

--- (4)

Area of ABC =

1
2

3a

3a2

Consider height of unit cell = h

O is centroid (orthocenter) of ABC

AO =

&

AM = 2r = a

From AOM,

AM 2 = AO2 + OM 2

2
2
h 2
= ( AD) + ( )
3
2
2

2 3 a
h 2
= (
) + (2)
3 2

h2
4

2a2
3

--- (5)

CRYSTALLOGRAPHY

INDROTUCTION

a
3

--- (6)

3a2

+ ( a)
3

= 32 a3

4.

= 32 a3

n 34 r3

When, n = 6, r =

APF =

n 34

a
2
3

(4

a)

32 a3

6 34 (2a )
32 a3

APF = 0.74

, Volm = 32 a3

APF =

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CRYSTALLOGRAPHY

5.

INDROTUCTION

Void Space :
Void Space

= (1 APF)
= (1 0.74)
= 0.26

6.

Void Space = 0.26

Packing Efficiency :

Packing efficiency = APF 100%

= 0.74 100%
= 74 %

Packing efficiency = 74 %

THEROY