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Lecture 8

Structure of Solids

Outline
Packing of atoms in crystals: FCC, HCP and
BCC crystals, stacking sequence
Close packed planes and directions, Packing
fraction
Voids in solids: tetrahedral and octahedral
voids
Implications of voids

Solids

Crystalline
Long-range periodicity
Gives sharp
diffraction patterns
Has sharp melting point
Has higher density

Noncrystalline
No long-range periodicity
Does not give sharp
diffraction patterns
Does not have a sharp
melting point
Has a lower density

Peak Broadening

Classification of crystals based on bonding


Molecular crystals: molecules are held by primary covalent
bonds, while intermolecular bonding are of weak Van der
wall/hydrogen type.
Non-molecular crystals: Metallic, covalent, ionic type of bond
METALLIC

COVALENT

IONIC

Actual bonding in material need not to be of one kind, it can


be of mixed nature

Metallic crystals
Positive ions in a free electron cloud
Metallic bonds are non-directional
Each atoms tends to surround itself with as many
neighbours as possible!
Usually high temperature BCC (Open structure)
The partial covalent character of transition metals is a
possible reason for many of them having the BCC
structure at low temperatures
FCC

Al, Fe (910 - 1410C), Cu, Ag, Au, Ni, Pd, Pt

BCC Li, Na, K , Ti, Zr, Hf, Nb, Ta, Cr, Mo, W, Fe
(below 910C),
HCP

Be, Mg, Ti, Zr, Hf, Zn, Cd

Cubic close packed (CCP) crystal: FCC lattice


monoatomically decorated with a single atom/ion motif
Body centred crystal (BCC) crystal: BCC lattice
monoatomically decorated with a single atom/ion motif
Hexagonal close packed (HCP) crystal: hexagonal lattice
decorated with a two atom/ion motif
We will understand about structure and position of voids
in above structures.
How these voids can be occupied by alloying elements to
give us interstitial alloys

Some facts
CCP and HCP crystals are close packed crystals (packing
fraction of 0.74): They have close packed planes and
directions

The voids observed in CCP and HCP crystals are regular


tetrahedron and regular Octahedron
Coordination number for above two: 12
BCC crystal is not a close packed structure. It does not
have close packed plane, but have <111> direction is a close
packed direction
The voids in BCC are non-regular tetrahedron and non
regular Octahedron

Close packing of equal hard


spheres
A close packed row of atoms in 1D

A 2D close packed hexagonal layer of atoms (A layer)


Close-packed plane of atoms

Close-packed directions?

Close packing of equal hard spheres


3-D packing
First layer A
A

A
C

B
A

B
A

Third layer A or C

C
B

A
C

C
B

B
A

Second layer B

C
B

A
C

B
A

Close packed crystals:


ABABAB Hexagonal close packed (HCP)
ABCABC Cubic close packed (CCP)
10

Geometrical properties of ABCABC stacking

A
C

B
A

C
B

A
C

C
B

B
A

C
B

A
C

B
A

11

Geometrical properties of ABCABC stacking


C
B

All atoms are equivalent


and
A
their centres form a lattice
C
3 a
B

Motif: single atom 000


What is the Bravais lattice?

ABCABC stacking
= CCP crystal
= FCC lattice + single atom motif 000

12

Close packed planes in the FCC unit cell of cubic close packed crystal

Body
diagonal
A

C
A
Close packed planes: {1 1 1}

13

Stacking sequence?

14

Stacking sequence?

15

HCP
+

HCP

Unit cell of HCP (Rhombic prism)


Note: Atoms are coloured differently but are the same

Courtesy: A. Subramanium

Hexagonal Lattice

HCP crystal

+
Motif

As we have seen that HCP crystal is constructed starting with a hexgonal close packed layer,
with ABABAB.. packing.

Two atom Motif

The 6-fold axis (present in a single layer) is lost on ABABAB.. packing and only a 3-fold remains.
Though 3 unit cells are often shown in diagrams- the rhombic prism (blue outline) is the unit cell.

Courtesy: A. Subramanium

Atoms: (0,0,0), (, ,)

Courtesy: A. Subramanium

Geometrical properties of ABAB stacking


A
C
B

b=a
A
=120
C

C
B

B
A

C
B

A
C

B
A

A and B do not have identical neighbours


Either A or B as lattice points, not both

Unit cell: a rhombus based prism with a=bc; ==90, =120


The unit cell contains only one lattice point (simple) but two atoms (motif)
ABAB stacking = HCP crystal = Hexagonal P lattice + 2 atom motif

000

2/3 1/3 1/2

Hexagonal close-packed (HCP) crystal


z

Corner and inside atoms do not have the same


neighbourhood

x
Lattice: Simple hexagonal

hcp lattice

Motif: Two atoms:


000; 2/3 1/3 1/2
hcp crystal

If the HCP crystal has only a 3-fold axis why does it come
under the Hexagonal class of crystals?

Courtesy: A. Subramanium

Screw Axes are a combination of


rotation axes and translations.
The symbols are:
2 1 31 32 41 42 43
61 62 6 3 64 65
The symbols are of the form
xy
The rotation is degrees.
The translation is units along the screw axis.

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