2.

Crystal Structure of Engineering Materials

2.1 Crystal Lattices and Unit Cells
• Crystal Geometry
- Atoms of metals are arranged in a three dimensional regular repeated
arrangement to form a crystal. The arrangement of atoms of metals is portrayed
by a crystal lattice in which the atoms are visualized as hard balls located at
particular locations in a geometrical arrangements.
The repetitive order of the atoms of a crystal is analyzed with the help of X-ray
diffraction analysis.
Crystals
• Consist of;
planes of atoms that are spaced a distance ‘d’ apart, but can be resolved into
many atomic planes, each with a different ‘d’ spacing, a, b and c and angles , ,
and  which can be determined by XRD.
Lattice which is a three dimensional periodic arrangement of the unit cells.
are classified according to the geometry into seven and further according to
crystal system into 14, named as 14 Bravais lattices
Lattices:
• Is the regular three-dimensional symmetry of the atomic, ionic, or molecular
(constituent particle) groupings in space that makes up a crystal solid.
Each atom is represented by a single point in a crystal lattice.
Unit cell
• Is the smallest component or is the tiniest repeating unit of a crystal lattice
• Is repeated in multiple direction to create the entire crystal lattice structure.
• Has distinct profile represented by six characteristics, edges x, y and z and angles (α,
β, )
• Is classified as:
- Primitive unit cells (simple cubic lattice):
Is a unit cell in which the constituent particles (atoms) occupy only the
corner positions.
simple cubic lattice
is the most elementary crystal structure
example of crystals that have simple cubic lattice is Polonium (Po) .
Polonium (Po) is the only metal with this structure.
 - Centred unit cells:
Contain particles or points at other locations in addition to the corner
Can have three forms:
i. Body-Centred Unit Cells (FCC):
Are cells which embrace atoms in the centre of the their bodies
Has eight atoms at the corner and one atom at the center and each
corner atom is surrounded by eight adjacent atoms.
Example of crystals with BCC structure are: Fe, Cr, Mo, and W
ii. Face-Centred Unit Cells (BCC):
Are those in which the constituent particle is located in the centre
of each individual face.
Has eight atoms at the corner and one atom at each of the six
faces of the cubic unit cell.
Example of crystals with FCC structure are: Al, Cu, Au, Pb, Ag,
and Ni.
Both FCC and BCC are crystals with close packed structure.
iii. End Centred (Base centred) Unit cell
Is one where the constituent particle is located in the middle of
two opposing faces
• Effective Number of Atoms
Effective Number of Atoms means the number of atoms per unit cell
a) Simple Cube
Since crystals with simple cube has eight atoms at the corner, effective number of atoms
will be:
8 X 1/8 = 1
Ex. Polonium (Po) metal
a) Body centered cubic lattice (BCC)
As BCC crystals have eight atoms at the corner and one atom at the center, effective number
of atoms of the BCC unit cell will be:
8 X 1/8 + 1 = 2
Ex. Alpha iron, Ni
b) Face centered cubic lattice (BCC)
BCC crystals have eight atoms at the corner and one atom at each faces of the unit cell.
Effective number of atoms of FCC unit cell will be:
8 X 1/8 + 6 X 1/2 = 4
Ex. Cu, Al, etc
c) Hexagonal Close Packed (HCP)
HCP crystals have 12 atoms at the corners, 3 atoms at the center and 2 atoms at the base.
Uses four indices of the type (hkil) representing four axes in which:
the three axes a1, a2, a3 are at 120° to each other in the basal plane
the vertical ‘c’ axis is normal to the basal plane.
Effective number of atoms of HCP unit cell will be: 12 X 1/6 + 3 + 2 X ½ = 6
- zinc and magnesium are examples of hexagonal close packed crystals.
 c) Hexagonal close-packed (HCP) structure

- two twelve atoms are positioned at each of the twelve corners of

the hexagon, three atoms inside the body of the unit cell and two atoms at
the two basal planes.

- uses four indices of the type (hkil) representing four axes where

the three axes a1, a2, a3 are at 120° to each other in the basal
plane

the vertical c axis is normal to the basal plane.

- Has 6 atoms per unit cell (effective number of atoms is 6)

effect No. of atoms = 12X1/6 + 2X1/2 + 3= 6

- zinc and magnesium are examples of hexagonal close packed

crystals.
2.2 Bravais Lattices
Bravais lattices refers to the 14 different configurations into which atoms can be arranged in
crystals including:
• Cubic lattice:
Includes:
Primitive or simple type of cube
All sides are equal in length in these sorts of lattices. In a cubic lattice, the angle
between their faces is 90 degrees.
Has only one lattice point at each corner of the cube-shaped unit cell.
a = b = c, α=β=γ=90o
• Tetragonal lattice:
Are both primitive and body-centred.
Angles between faces in these lattices are equal to 90° on each side.
a = b ≠ c, α=β=γ=90o
• Orthorhombic lattice :
Can be divided into:
Primitive unit cell,
End-centred unit cell
Body-centred unit cell.
a ≠ b ≠ c, α=β=γ=90o
• Monoclinic Lattice :
Appears in:
Primitive type unit cell
End-centred type
a ≠ b ≠ c, α=β= 90o , γ ≠ 90o
• Hexagonal lattice :
Has a single type of lattice
a = b ≠ c, α=β=90o,γ= 120o
• Rhombohedron lattice :
Has only a single type of lattice.
a = b = c, α=β=γ≠90o
• Triclinic Lattice:
Has only a single type of lattice.
None of the angles are exactly 90 degrees, and the sides are uneven.
a ≠ b ≠ c, α≠β≠γ≠90o

Hexagonal Close Packed (HCP)

 System Axial lengths and angles Unit cell Bravais lattice
1 Cubic Three equal axes at right angles - Simple
a = b = c, α=β=γ=90o - Body-centered
- Face-centered

2 Tetragonal Three axes at right angles, two - Simple

equals - Body-centered
a = b ≠ c, α=β=γ=90o

3 Orthorhom Three unequal axes at right - Simple

bic angles - Body-centered
a ≠ b ≠ c, α=β=γ=90o - Base-centered
- Face-centered
4 Rhombohe Three equal axes, equally - Simple
dral inclined
a = b = c, α=β=γ≠90o
5 Hexagonal Two equal coplanar axes at, 120o Simple
third axis at right angles
a = b ≠ c, α=β=90o,γ= 120o

6 Monoclinic Three unequal axes, one pair not at Simple

right angles Base-
a ≠ b ≠ c, α=β= 90o , γ ≠ 90o centered

7 Triclinic Three unequal axes, unequally Simple

inclined and none at right angles
a ≠ b ≠ c, α≠β≠γ≠90o