Stacking of atomic layers

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Stacking sequence in crystal structure

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Stacking sequence in crystal structure

-a-b-a-b-a-b-a-b-a-b-a-

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a-b-c-a-b-c-a-b-c... sequence.

Stacking sequence in crystal structure

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Cognifront.
Hexagonal close-packed (hcp) crystal structure

com

Stacking sequences in an FCC crystal

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Tetrahedral and octahedral voids

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Octahedral void

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Tetrahedral voids in FCC Crystal

way from each vertex of the cube along body diagonal <111>
Effective number of voids per unit cell and per atoms?

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Octahedral voids in FCC Crystal

Body center

Edge

Effective number of voids per unit cell and per atoms?

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Summary of voids in FCC Crystal

FCC voids

Position

Voids / cell

Voids / atom

Tetrahedral

way from each vertex of the cube

along body diagonal <111>
((, , ))

Octahedral

Body center: 1 (, , )
Edge center: (12/4 = 3) (, 0, 0)

Tetrahedral voids in BCC Crystal

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Shared by two unit cell

and present at the edge
Distorted tetrahedral

a3/2

Effective number of voids per unit cell and per atoms?

Octahedral voids in BCC Crystal

Face center

Edge center

Effective number of voids per unit cell and per atoms?

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Summary of voids in BCC Crystal

BCC voids

Position

Voids /
cell

Voids /
atom

Distorted
Tetrahedral

Four on each face: [(4/2) 6 = 12] (0, , )

12

Non-regular
Octahedral

Face center: (6/2 = 3) (, , 0)

Edge center: (12/4 = 3) (, 0, 0)

Voids in HCP Crystal

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Octahedral voids in HCP Crystal

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Octahedral voids size in FCC Crystal

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Size of the largest atom which can fit

into the Octahedral void of FCC

2a 4r

2r + 2x = a

2 1 ~ 0.414

Octahedral voids size in BCC Crystal

distorted octahedral void

OB

a
0.5a
2

OA

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2a
.707a
2

As the distance OA > OB the atom in the void

touches only the atom at B (body center).

a3/2

This implies:

a
OB r x
2
4r
rx
2 3

BCC : 3a 4r

x 2 3

1 0.1547
r 3

Tetrahedral voids size in FCC Crystal

DT = r + x

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Radius of the void

In triangle ABC

In tetrahedron ABCD
AD2 e2 AO2 DO2

e2
e AM 2
4
2

e
e DO 2
3
2
DO e
3
2

3
e
2

AM
AO

2
2 3
e
AM
e
3
3 2
3

DT

DT

6
erx
4

x 6

1 ~ 0.225
r 2

3 2
6
3
e
e
DO DT
4 3
4
4

e 2r

6
rrx
2

Tetrahedral voids size in BCC Crystal

distorted tetrahedral void

a
a3/2

a2 a2
5
From the right angled triange OCM: OC

arx
16 4
4
For a BCC structure:

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3a 4r ( a

4r
3

5 4r
x 5
r x
1 0.29
4 3
r 3

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Summary of void sizes

rvoid / ratom
BCC

FCC

Octahedral
(CN = 6)

0.155

0.414

Tetrahedral
(CN = 4)

0.29

0.225

Cubic
(CN = 8)

Not present

Not present

The octahedral void is the bigger one in FCC and interstitial atoms would prefer to sit.
The tetrahedral void is the bigger one in BCC and interstitial atoms would prefer to sit