What is space lattice?

• Space lattice is the distribution of points in

3D in such a way that every point has
identical surroundings, i.e., it is an infinite
array of points in three dimensions in
which every point has surroundings
identical to every other point in the array.
Common materials: with various ‘viewpoints’

Graphite
Glass: amorphous
Ceramics

Crystal
Metals Polymers
 Common materials: examples

 Metals and alloys  Cu, Ni, Fe, NiAl (intermetallic compound), Brass (Cu-Zn alloys)
 Ceramics (usually oxides, nitrides, carbides)  Alumina (Al2O3), Zirconia (Zr2O3)
 Polymers (thermoplasts, thermosets) (Elastomers) Polythene, Polyvinyl chloride, Polypropylene

Based on Electrical Conduction

 Conductors  Cu, Al, NiAl
 Semiconductors  Ge, Si, GaAs
 Insulators  Alumina, Polythene*

Based on Ductility
 Ductile  Metals, Alloys
 Brittle  Ceramics, Inorganic Glasses, Ge, Si

* some special polymers could be conducting

 The broad scientific and technological segments of Materials Science are shown
in the diagram below.
 To gain a comprehensive understanding of materials science, all these aspects
have to be studied.

MATERIALS SCIENCE & ENGINEERING

Science of Metallurgy

PHYSICAL MECHANICAL ELECTRO- TECHNOLOGICAL

CHEMICAL

• Extractive
• Structure • Deformation • Thermodynamics • Casting
• Physical • Metal Forming
Behaviour • Chemistry
Properties • Corrosion • Welding
• Powder Metallurgy
• Machining
Definition 1
Crystal = Lattice +
Motif
Motif or Basis:
typically an atom or a group of atoms associated with each lattice point

Lattice  the underlying periodicity of the crystal

Basis  Entity associated with each lattice points

Lattice  how to repeat

Motif  what to repeat

Lattice Crystal
Translationally periodic Translationally periodic
arrangement of points arrangement of motifs
Hari Prasad
Space Lattice A lattice is also called a Space Lattice

An array of points such that every point has

identical surroundings

 In Euclidean space  infinite array

 We can have 1D, 2D or 3D arrays (lattices)

or

Translationally periodic arrangement of points in space is called a lattice

Unit cell: A unit cell is the sub-division of the
space lattice that still retains the overall
characteristics of the space lattice.
Primitive cell: the smallest possible unit cell of a
lattice, having lattice points at each of its eight
vertices only.
A primitive cell is a minimum volume cell
corresponding to a single lattice point of a structure
with translational symmetry in 2 dimensions, 3
dimensions, or other dimensions.
A lattice can be characterized by the geometry of its
primitive cell.
 Materials and Packing
Crystalline materials...
• atoms pack in periodic, 3D arrays
• typical of: -metals
-many ceramics
-some polymers crystalline SiO2 (Quartz)

Si Oxygen
Non-crystalline materials...
• atoms have no periodic packing
• occurs for: -complex structures
-rapid cooling
"Amorphous" = Noncrystalline noncrystalline SiO2 (Glass)
 Crystal Systems
Unit cell: smallest repetitive volume which contains
the complete lattice pattern of a crystal.

7 crystal systems

14 crystal lattices

a, b, and c are the lattice constants

The Unite Cell is the smallest group of atom showing
the characteristic lattice structure of a particular metal.
It is the building block of a single crystal.
A single crystal can have many unit cells.
 Crystal systems
Cubic Three equal axes, mutually perpendicular
a=b=c ===90˚
Tetragonal Three perpendicular axes, only two equal
a=b≠c ===90˚
Hexagonal Three equal coplanar axes at 120˚ and a fourth unequal
axis perpendicular to their plane
a=b≠c == 90˚ =120˚
Rhombohedral Three equal axes, not at right angles
a=b=c ==≠90˚
Orthorhombic Three unequal axes, all perpendicular
a≠b≠c ===90˚
Monoclinic Three unequal axes, one of which is perpendicular to the
other two
a≠b≠c ==90˚≠ 
Triclinic Three unequal axes, no two of which are perpendicular
a≠b≠c ≠ ≠≠90˚
Hari Prasad
Some engineering applications require single crystals:
--diamond single --turbine blades
crystals for abrasives
What is coordination number?
• The coordination number of a central atom in a
crystal is the number of its nearest neighbours.
What is lattice parameter?
• The lattice constant, or lattice parameter, refers
to the physical dimension of unit cells in a crystal
lattice.
• Lattices in three dimensions generally have
three lattice constants, referred to as a, b, and
c.
 Simple Cubic Structure (SC)
• Rare due to low packing density (only Po has this structure)
• Close-packed directions are cube edges.

• Coordination # = 6
(# nearest neighbors)
 Body Centered Cubic Structure (BCC)
• Atoms touch each other along cube diagonals.
--Note: All atoms are identical; the center atom is shaded
differently only for ease of viewing.

ex: Cr, W, Fe (), Tantalum, Molybdenum

• Coordination # = 8

2 atoms/unit cell: 1 center + 8 corners x 1/8

 Atomic Packing Factor: BCC
• APF for a body-centered cubic structure = 0.68

3a

2a
Close-packed directions:
R
a length = 4R = 3a

atoms volume
4
unit cell 2  ( 3 a/4 ) 3
3 atom
APF =
volume
a3
unit cell
 Face Centered Cubic Structure (FCC)
• Atoms touch each other along face diagonals.
--Note: All atoms are identical; the face-centered atoms are shaded
differently only for ease of viewing.
ex: Al, Cu, Au, Pb, Ni, Pt, Ag
• Coordination # = 12

4 atoms/unit cell: 6 face x 1/2 + 8 corners x 1/8

 Atomic Packing Factor: FCC
• APF for a face-centered cubic structure = 0.74
maximum achievable APF
Close-packed directions:
length = 4R = 2a
2a
Unit cell contains:
6 x 1/2 + 8 x 1/8
= 4 atoms/unit cell
a

atoms volume
4
unit cell 4  ( 2 a/4 ) 3
3 atom
APF =
volume
a3
unit cell
 FCC Stacking Sequence
• ABCABC... Stacking Sequence
• 2D Projection
B B
C
A
A sites B B B
C C
B sites B B
C sites

A
• FCC Unit Cell B
C
Putting atoms in the B position in the II layer and in C positions in the III layer we get
a stacking sequence  ABC ABC ABC….  The CCP (FCC) crystal

+ + =

A B C
FCC

A A

B B
C C
SC-coordination number

Hari Prasad
 • Coordination # = 6
(# nearest neighbors)

Hari Prasad
BCC-coordination number

8
FCC-coordination number

4+4+4=12
 Theoretical Density, 
Mass of AtomsinUnitCell
Density =  =
Total Volumeof UnitCell

 = nA
VC NA

where n = number of atoms/unit cell

A = atomic weight
VC = Volume of unit cell = a3 for cubic
NA = Avogadro’s number
= 6.023 x 1023 atoms/mol
 Theoretical Density, 
• Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm
n=2
R
a a = 4R/ 3 = 0.2887 nm
atoms
g
unit cell 2 52.00
mol theoretical = 7.18 g/cm3

= actual = 7.19 g/cm3

a 3 6.023 x 1023
volume atoms

unit cell mol

 Miller indices

Miller indices: defined as the reciprocals of

the intercepts made by the plane on the three
axes.
Procedure for finding Miller indices

Step 1

Determine the intercepts

of the plane along the axes
X,Y and Z in terms of the
lattice constants a, b and c.
Step 2
Determine the
reciprocals of these
numbers.
Step 3

Find the least common

denominator (lcd)
and multiply each by
this lcd
Step 4

The result is written in

parenthesis.
This is called the `Miller
Indices’ of the plane in
the form (h k l).
 Miller Indices for planes
(0,0,1)

(0,3,0)

(2,0,0)

 Find intercepts along axes → 2 3 1

 Take reciprocal → 1/2 1/3 1
 Convert to smallest integers in the same ratio → 3 2 6
 Enclose in parenthesis → (326)
 Z Plane ABC has intercepts of 2 units
along X-axis, 3 units along Y-axis and 2
units along Z-axis.

B
Y

X
 DETERMINATION OF ‘MILLER INDICES’

Step 1: The intercepts are 2, 3 and 2 on the three

axes.

Step 2: The reciprocals are 1/2, 1/3 and 1/2.

Step 3: The least common denominator is ‘6’.

Multiplying each reciprocal by lcd,
we get, 3,2 and 3.

Step 4:Hence Miller indices for the plane ABC is (3

2 3)
 IMPORTANT FEATURES OF MILLER INDICES
For the cubic crystal especially, the important features of
Miller indices are,
 A plane which is parallel to any one of the co-ordinate
axes has an intercept of infinity ().
 Therefore the Miller index for that axis is zero; i.e. for an
intercept at infinity, the corresponding index is zero.
 A plane passing through the origin is defined in terms
of a parallel plane having non zero intercepts.
 All equally spaced parallel planes have same ‘Miller
indices’ i.e. The Miller indices do not only define a
particular plane but also a set of parallel planes.
 Thus the planes whose intercepts are 1, 1,1; 2,2,2; -3,-3,-3
etc., are all represented by the same set of Miller
indices.
Hari Prasad
Worked Example:
 Calculate the miller indices for the plane with intercepts 2a, - 3b
and 4c the along the crystallographic axes.

 The intercepts are 2, - 3 and 4

 Step 1: The intercepts are 2, -3 and 4 along the 3 axes

 Step 2: The reciprocals are

 Step 3: The least common denominator is 12.

Multiplying each reciprocal by lcd, we get 6 -4 and 3


Step 4: Hence the Miller indices for the plane is 6 4 3 

Hari Prasad
Intercepts → 1   Intercepts → 1 1 
Plane → (100) Plane → (110)
Family → {100} → 3 Family → {110} → 6

Intercepts → 1 1 1
Plane → (111)
Family → {111} → 8
(Octahedral plane)
Miller Indices : (100)
Intercepts : a , a , ∞
Fractional intercepts : 1 , 1 , ∞
Miller Indices : (110)
Intercepts : a , a , a
Fractional intercepts : 1 , 1 , 1
Miller Indices : (111)
Intercepts : ½ a , a , ∞
Fractional intercepts : ½ , 1 , ∞
Miller Indices : (210)
 Z

(101)

X Hari Prasad
(122)
(211)
 Crystallographic Directions

 The crystallographic directions are fictitious

lines linking nodes (atoms, ions or molecules) of
a crystal.
 Similarly, the crystallographic planes are
fictitious planes linking nodes.
 The length of the vector projection on each of the
three axes is determined; these are measured in
terms of the unit cell dimensions a, b, and c.
 To find the Miller indices of a direction,
Choose a perpendicular plane to that direction.
 Find the Miller indices of that perpendicular
plane.
 The perpendicular plane and the direction have
the same Miller indices value.
 Therefore, the Miller indices of the
perpendicular plane is written within a square
bracket to represent the Miller indices of the
direction like [ ].