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SOME OF IMPORTANT CRYSTALL STRUCTURE

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INDROTUCTION

I.

1.

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)

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

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

2r+ = Radius of Na+

2r = Radius of Cl

We cant take radius r because radius of Na+ & Cl are different .

4.

(n

34 r3+ ) + (n 34 r3 )

a3

Where n = 4

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-

c)

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

CRYSTALLOGRAPHY

INDROTUCTION

THEROY

d)

e)

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)

resulting

in stable structure.

II.

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

1.

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

(i.e.

1

8

8= 1)

CRYSTALLOGRAPHY

INDROTUCTION

THEROY

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

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

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

3.

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

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

Atomic Radius =

4.

n 34 r3

a3

For Diamond ,

n = 8, r =

3a

n 34

8

3

(4

APF =

APF = 0.34

a3

a)

THEROY

CRYSTALLOGRAPHY

4.

INDROTUCTION

Void Space :

Void Space

= (1 APF)

= (1 0.34)

= 0.66

5.

Packing Efficiency :

= 0.34 100%

= 34 %

Packing efficiency = 34 %

THEROY

CRYSTALLOGRAPHY

INDROTUCTION

THEROY

III.

a)

b)

c)

d)

different elements and are displaced from each other by one

structure.

quarter of

body diagonal.

e)

1.

Calculation for Zn :

atoms is (i.e. 6

1

6

1

8

= 3)

Calculations for S :

4 Zn + 4 S = 8

1

4

Cell.

CRYSTALLOGRAPHY

2.

INDROTUCTION

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

THEROY

CRYSTALLOGRAPHY

INDROTUCTION

THEROY

IV.

a)

atoms in

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)

---------- 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 (HCP) structure is one of the most metallic structure

about 25 metals exhibit this structure.

CRYSTALLOGRAPHY

1.

INDROTUCTION

THEROY

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

distribution of corner atoms is

1

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

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

Atomic Radius =

a

2

n 34 r3

Volume of unit cell

---(1)

Volume of Hexagon = Area of bade hight of cell

---(2)

Area of ABC =

1

2

base height

Draw r AD to BC .

Sin 60 =

AD

=

AB

AD

a

---(3)

CRYSTALLOGRAPHY

INDROTUCTION

THEROY

Height of ,

AD = a sin 60

AD =

3a

--- (4)

Area of ABC =

1

2

3a

3a2

O is centroid (orthocenter) of ABC

AO =

&

AM = 2r = a

From AOM,

AD

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 =

THEROY

CRYSTALLOGRAPHY

5.

INDROTUCTION

Void Space :

Void Space

= (1 APF)

= (1 0.74)

= 0.26

6.

Packing Efficiency :

= 0.74 100%

= 74 %

Packing efficiency = 74 %

THEROY

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