2000 ME222 Crystals PDF

06-02-2020
Amazing World of Materials: Crystal Structures

Nature and Properties of Materials
C Prof. Kamal K. Kar

Advanced Nanoengineering Materials Laboratory
1968-2001-
Department of Mechanical Engineering
and Materials Science Programme
118
2020 Indian Institute of Technology Kanpur
http://home.iitk.ac.in/~kamalkk/index.htm
[email protected]
Advanced
Nanoengineering
De
Materials Laboratory
Role of Crystal Structures

ISSUES TO ADDRESS...
1. How do atoms assemble into solid structures? What about liquid?
2. When do material properties vary with sample (i.e., part) orientation?
Fe:BCC
Al: FCC
Modulus will be same

or different???
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1. How do atoms assemble into solid structures?
2. When do material properties vary with sample (i.e., part) orientation?
oak and maple: stronger than steel

Used in bullet-resistant armor plates

oak and maple: stronger than steel

Used in bullet-resistant armor plates
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3. How does density depend on the structure?
Is density related to other material properties?
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Importance of Crystallography
• Crystallography is the study of atomic and

molecular structure.
• The study of crystal geometry helps to understand
how the atoms in a material are arranged in order
to interpret the relationship between atomic
structure and properties of these materials namely-
✓ Mechanical
✓ Electrical
✓ Magnetic
✓ Optical
✓ Metallurgical
• Common Technique: X-ray diffraction
Solid
Grain Materials
Crystalline Polycrystalline Amorphous
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Crystalline Solid
❖A long range structure exists in which atoms

are arranged into unit cells and the unit cells
repeat in a regular orderly pattern, forming a
lattice (3-D).
❖Directional properties - Anisotropic nature.
❖Sharp melting point
❖Example – Gold, Silver, Aluminum, etc.
Crystalline solid
Single crystal
❖Only one grain – no grain boundaries.
❖Formed by uniform cooling of liquid material.
❖Have a high degree of order throughout the entire
volume of the material
❖Useful for applications where grain boundaries are
harmful.
❖For example, high temperature deformation or creep
resistance (as creep takes place by grain boundary
sliding) - single crystal turbine blades - Ni-based
super alloy gas turbine blades (withstand creep at
high temperature due to lack of grain boundaries).
❖Other examples – Diamond,
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Polycrystalline Solid
❖ Made up of an aggregate of many small single

crystals (also called crystallites or grains).
❖ Across grain boundary, the orientation of
crystal changes.
❖ The grains are usually 100 nm - 100 microns in
diameter.
❖ Polycrystalline material have a high degree of
order over many atomic or molecular dimension.
❖ Polycrystals with grains that are <10 nm in
diameter are called Nano-crystalline.
❖ Most engineering materials are polycrystalline.
❖ Properties may or may not vary with direction.
❖ Example – Common steel is polycrystalline.
If grains are “textured (due to rolling)”, then
anisotropic
If grains are random, then isotropic (E ≈ 210
GPa)
Amophous Solid
❖ The atoms or molecules are arranged in an

irregular manner.
❖ No periodic packing.
❖ No directional properties - Isotropic
substances.
❖ Occurs for complex structures, rapid
cooling.
Example : Glass, Plastic, rubber, etc. Silica
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ME222a: Nature and Properties of Materials
Ir
Re
Ru
Be
Mo
Cr
Lattice / Basis
Lattice
Array of points in space, in which every point
has identical environment with respect to all
other points.
Basis
Single atom or group of atoms identical in
composition and orientation in space
Lattice + Basis = Crystal Structure
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3 D Unit Cell
A crystalline solid can be constructed from a Unit cell plus

Translational operators
Unit Cell Translation along Translation along Translation along

X axis Y axis Z axis
3 D Unit Cell: Lattice Parameters
➢ Basic structural unit which forms the crystal structure by its

3D repetition
➢ Defined by three vectors a, b, c and the angles α, β,  between

them
a =  between b and c
a b =  between c and a
b
  =  between a and b
A parallelepiped is generated by the vectors

a , b and c
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Triclinic System: 1
All three sides different
abc
a
b
All three angles different

ab
𝑉 = 𝑎𝑏𝑐 1 − 𝑐𝑜𝑠2α − 𝑐𝑜𝑠2𝛽 − 𝑐𝑜𝑠2𝛾 + 2𝑐𝑜𝑠𝛼𝑐𝑜𝑠𝛽𝑐𝑜𝑠𝛾
Monoclinic System: 2
All three sides different,
abc
Two right angles, third arbitrary

a
 = b = 90°, a  90°
𝑉 = 𝑎𝑏𝑐 sin a
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Orthorhombic System: 3
All three sides different,
abc
All three right angles
a = b =  = 90°
V = abc
Cubic System: 4
All three sides equal,
a=b=c
a = b =  = 90°
V = a3
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Rhombohedral/Trigonal System: 5
All three sides equal,
a=b=c
All three angles equal,

of arbitrary value,
a = b =   90°
𝑉 = a3 1 − 3𝑐𝑜𝑠2𝛼 + 2𝑐𝑜𝑠3𝛼
Tetragonal System: 6
Two sides equal,
a=bc
a = b =  = 90°
V = a2c
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Hexagonal System: 7
Two sides equal, third arbitrary,
a=bc
Two right angles,

third angle 120
a = b = 90°,  = 120°
3 2
V= a c
2
Seven Systems
Seven systems
1. Triclinic (a ≠ b≠c and a ≠ b ≠  ≠ 90)
2. Monoclinic (a ≠ b≠c and a=  =90 ≠ b)
3. Orthorhombic (a ≠ b≠c and a=b=  =90)
4. Trigonal/Rhombohedral (a=b=c & a=b= ≠ 90)
5. Hexagonal (a=b≠c and a=b=  =90)
6. Tetragonal(a=b≠c and a=b=90  =120)
7. Cubic (a=b=c and a=b= =90)
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Primitive/Base Centred
P type
Primitive lattice
Lattice points only at the corners of the

parallelepiped.
Effective number of Lattice points / cell=
= [8  (1/8)] = 1
C type
Base centered Lattice
Lattice points at the corners

of the parallelopiped
and at the centre of the faces which intersect c.
= [1 (for corners)] + [2  (1/2)] = 2
Bodycentred/Facecentred
I type
Bodycentered Lattice
of the parallelopiped
and at the centre of the each unit cell.

= [1 (for corners)] + [1 (BC)] = 2
F type
Facecentered Lattice

of the parallelepiped
and at the centre of each face of the unit cell.
= [1 (for corners)] + [6  (1/2)] = 4
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Seven Systems
Seven systems lead to 28 crystal structures:14 Bravais lattices
1. Triclinic (a ≠ b≠c and a ≠ b ≠  ≠ 90)P, C, I, F

2. Monoclinic (a ≠ b≠c and a=  =90 ≠ b) P, C, I, F
3. Orthorhombic (a ≠ b≠c and a=b=  =90) P, C, I, F
4. Trigonal/Rhombohedral (a=b=c & a=b= ≠ 90) P, C, I, F
5. Hexagonal (a=b≠c and a=b=  =90) P, C, I, F
6. Tetragonal(a=b≠c and a=b=90  =120) P, C, I, F
7. Cubic (a=b=c and a=b= =90) P, C, I, F
Seven Systems: Triclinic body-center

Triclinic
(a ≠ b≠c
and
a ≠ b ≠  ≠ 90)
Triclinic
Primitive Cell
1
➢ Triclinic BC
Triclinic Body Centered Cell Triclinic Primitive
2
Bravais Lattices
The unit cell which has the smaller number of lattice points
is chosen for the Bravais list
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Seven Systems: Hexagonal Body-centered
Hexagonal (a=b≠c and a=b=  =90)
Hexagonal
Primitive
1
Hexagonal Body-Center
2
Seven Systems: Trigonal Body-centered
Trigonal/Rhombohedral (a=b=c & a=b= ≠ 90)
Trigonal Orthorhombic
Body Primitive
Centre 1
2
Orthorhombic (a ≠ b≠c and a=b=  =90)
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Seven Systems: Monoclinic Face-centered
Monoclinic (a ≠ b≠c and a=  =90 ≠ b)
Monoclinic
Base-Center
2
Monoclinic Face-Center
4
Seven Systems: Triclinic Face-centered

Triclinic (a ≠ b≠c and a ≠ b ≠  ≠ 90)
Triclinic Primitive
1
Triclinic Face-Center
4
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Seven Systems: Tetragonal Face-centered

Tetragonal(a=b≠c and a=b=90  =120)
Tetragonal
Body-Center
2
Tetragonal Face-Center
4
Seven Systems: Hexagonal Face-centered
Hexagonal
Primitive
1
Hexagonal Face-Center
4
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Seven Systems: Trigonal Face-centered

Trigonal/Rhombohedral (a=b=c and a=b= ≠ 90)
Orthorhombic
Primitive
1
Trigonal Face-Center
4
Orthorhombic (a ≠ b≠c and a=b=  =90)
Seven Systems: Tetragonal Base-center

Tetragonal
Primitive
1
Tetragonal Base-Center
2
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Seven Systems: Cubic Base-center

Tetragonal
Primitive
1
Cubic Base-Center
2
Cubic (a=b=c and a=b= =90)
Seven Systems: Hexagonal Base-center
Hexagonal
Primitive
1
Hexagonal Base-Center
2
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Seven Systems: Trigonal Base-center

Trigonal/Rhombohedral (a=b=c & a=b= ≠ 90)
Trigonal Base-center Triclinic Primitive

2 1
Seven Systems: Triclinic Base-center

Triclinic Primitive
1
Triclinic Base-Center
2
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Seven Systems: Monoclinic Body-centered

Monoclinic (a ≠ b≠c and a=  =90 ≠ b)
Monoclinic Body Center Monoclinic Base-Center

2 2
Seven Systems
Seven systems lead to 14 Bravais lattices :

Silver-Face centered cubic
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Common crystal structures
Simple Cubic Structure: Packing efficiency

✓ The unit cell consists of eight corner atoms and all these
corner atoms contribute only one effective atom for the
lattice.
✓ Coordination No. = the number of atoms immediately
surrounding a central atom in a crystal = 6
✓ Rare due to poor packing (only Polonium, Po, Oxygen).
➢ The lattice parameter, a, is related

to the radius of the atom in the cell
Reduced-sphere unit cell
through: a=2R
➢ No. of lattice points

per unit cell = 1
a R
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Simple Cubic Structure: Packing efficiency
Number of atoms per unit cell, n = (1/8) x 8 = 1

𝑽𝒐𝒍𝒖𝒎𝒆 𝒐𝒇 𝒂𝒕𝒐𝒎𝒔 𝒊𝒏 𝒂 𝒖𝒏𝒊𝒕 𝒄𝒆𝒍𝒍
Atomic packing factor =
𝑻𝒐𝒕𝒂𝒍 𝒖𝒏𝒊𝒕 𝒄𝒆𝒍𝒍 𝒗𝒐𝒍𝒖𝒎𝒆
(𝒂𝒕𝒐𝒎𝒔/𝒖𝒏𝒊𝒕 𝒄𝒆𝒍𝒍) 𝒙 (𝒗𝒐𝒍𝒖𝒎𝒆/𝒂𝒕𝒐𝒎)
=
𝒂𝟑
𝟒
𝟏 𝐱 𝝅 𝟎.𝟓𝒂 𝟑
= 𝟑
= 0.52
𝒂𝟑
Reduced-sphere
• The atoms in SCC occupy 52% of the space and the unit cell
rest (48%) is void/interstitial space.
r = 0.5a
Hard –sphere unit cell
Body Centered Cubic Structure:PE

➢ No. of lattice points per unit cell =
2 (Non-primitive unit cell)
➢ Coordination No. = 8
➢ Example : Chromium(Cr) , Iron(Fe)
, Molybdenum(Mo) , Potassium(K)
, Sodium(Na) , Tantalum(Ta) ,
Vanadium(V)
Number of atoms per unit cell, n = (1/8) x 8 + 1 = 2

=
𝒂𝟑
𝟑
𝟒 𝟑𝒂
𝟐𝐱 𝝅
𝟑 𝟒
= = 0.68
𝒂𝟑
• The atoms in BCC occupy 68% of the space and the rest
(32%) is void/interstitial space.
• BCC is tightly packed than simple cubic structure (52%).
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Face Centered Cubic Structure:PE

➢ No. of lattice points per unit
cell = 4
➢ Coordination No. = 12
➢ Closest packed structure

➢ Example: Gold, Copper,
Nickel
Number of atoms per unit cell, n = (1/8) x 8 + 6 x

(1/2) = 4
Unit Cell
=
𝒂𝟑
𝟑
𝟒 𝟐𝒂
𝟒𝐱 𝝅
𝟑 𝟒
= = 0.74
𝒂𝟑
• The atoms in BCC occupy 74% of the space and the
rest (26%) is void/interstitial space.
• FCC is tightly packed than BCC (68%).
Hexagonal close packed Structure

✓ ABABAB…..stacking sequence
✓ The center atom is not shared by any of the unit cells.
✓ Coordination No. = 12
✓ No of atoms=3 + (1/2)×2 + (1/6)×6×2 = 6
✓ 2 per primitive unit cell
Example : Magnesium(Mg), Cobalt(Co), Zirconium(Zr),
Titanium(Ti), Beryllium(Be), Zinc(Zn), Cadmium(Cd)
Number of atoms per unit cell, n = 2

(𝒂𝒕𝒐𝒎𝒔/𝒖𝒏𝒊𝒕 𝒄𝒆𝒍𝒍) 𝐱 (𝒗𝒐𝒍𝒖𝒎𝒆/𝒂𝒕𝒐𝒎)
=
𝒂𝟑 8
a = 2r , c = 3a
𝟒
𝟐𝐱 𝝅 𝒓 𝟑 𝝅
= 𝟑
=
(𝟖 𝟐𝒓)𝟑 𝟑 𝟐
= 0.74
• The atoms in HCP occupy 74% of the space
and the rest (26%) is void/interstitial space.
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Theoretical Density
No. of atoms/unit cell Atomic Weight (g/mol)
𝑛𝐴
𝜌=
𝑉𝑐 𝑁𝐴
Volume/unit cell Avagadro’s number
(cm3/unit cell) (6.023 x 1023 atoms/mol)
Example : Copper
• Crystal structure = FCC (4 atoms/unit cell)
• Atomic weight = 63.55 g/mol (1 amu = 1 g/mol)
• Atomic radius, R = 0.128 nm (1nm = 10-7 cm)
• VC = a3; For FCC : a = 4R/ 2 ; VC = 4.75 x 10-23 cm3
• Result : Theoretical ρCu = 8.89 g/cm3
Density of Material Class

𝝆𝑴𝒆𝒕𝒂𝒍𝒔 ≥ 𝝆𝑪𝒆𝒓𝒂𝒎𝒊𝒄𝒔 ≥ 𝝆𝑷𝒐𝒍𝒚𝒎𝒆𝒓𝒔
Why ?
✓ Metals have
• Close Packing (metallic
bonding).
• Large atomic masses.
✓ Ceramics have less dense
packing (covalent
bonding).
✓ Polymers have poor
packing (often amorphous).
✓ Composites average values
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Crystal Structure of Elements
Liquid metal
BCC
Solidification
FCC
HCP
Unit cell Allotrophism
Lattice 0.1 nm
Imperfections
Dislocations
Crystal
Single crystal Polycrystalline
In the next lecture,Significance of Crystal

structure, Miller indices
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Crystal Structure of Elements
Crystallographic Points
Directions
Planes
Voids
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Crystallographic Points: Lattice Points

➢ Position of any lattice site P relative to a
chosen origin (OOO) is defined by three of
P (x y z)
its lattice coordinates (x, y, z)
➢ Lattice coordinates • (OOO)

x, y, z are used to define any point
Lattice Coordinates of an unit cell

at corners
Crystallographic Directions
➢ Crystallographic Direction (a line between two points and a vector) is
defined by the indices of the first lattice point through which the line passes
➢ Indices for direction are written in square brackets,

i.e. [u v w]
Z X(a) Y(b) Z(c)
Point coordinates 0 1 1
Clear fraction 0 1 1
(if any)
Crystal Direction [011]
•
Y
Indices for direction are written
in square brackets,
i.e. [u v w]
X [011]
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X(a) Y(b) Z(c)

Point coordinates 3/4 3/4 1
(if any)
X(a) Y(b) Z(c)

Point coordinates 1/2 1 1/2
(if any)
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[001] Z
[112]
X
X
X
[111]
• X
[010]
Y
X [110]
[100]
X Indices of different directions
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Negative Directions
➢ Negative directions are represented by a bar on the index
Z
•
•
Y
Equivalent Directions in Crystals
➢ Directions having identical

[001]
spacing between atoms
➢ Set of equivalent directions

is denoted by angle bracket
[010] <u v w>
[100]
Six equivalent directions are represented by angle bracket <100>

in simple cubic structure
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Seven Systems
14 Bravais lattices :
HW: Directions for 14 lattices
Linear Density
Linear density in a given direction (LD):
LD =
Number of atoms centered on direction vector
(nm−1 )
Length of direction vector
➢Same for equivalent directions
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Linear Density: Example
Linear density for [110] direction of FCC structure:
Z
LD for 110 direction in FCC
2 atoms
LD110 =
4R
Y 1
[110] =
2R
X
Seven Systems
HW: Calculate linear density of 14 lattices
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Crystallographic Planes
a3
a1 a2
Crystallographic Planes: Miller Indices: How
X(a) Y(b) Z(c)

Intercept on axes 1 1 1/2
Reciprocal 1 1 2
Integer clear 1 1 2
(if any)
Miller Indices (112)
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X(a) Y(b) Z(c)

Intercept on axes 1 3/4 1/4
Reciprocal 1 4/3 4
Integer clear 3 4 2
(if any)
X(a) Y(b) Z(c)

Intercept on axes 1 1 
Reciprocal 1 1 1/
Integer clear 1 1 0
(if any)
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a3
a1 a2
(100) (110) (111)
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Miller Indices of Planes: Cubic System
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Equivalent Planes: FCC {110}
➢Planes having identical array of atoms
➢Same interplaner spacing
➢Represented by {h k l}
{1 1 0 } = Plane (1 1 0)
and all other planes related
by symmetry to (1 1 0)
Crystallographic Planes: Inter-planer Distance
a3
a1 a2
(100) (110) (111)

dhkl = a dhkl = a/√2 dhkl = a/√3
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Inter-planer Distance
➢{hkl} represent a family of planes.

➢All parallel crystal planes have the same Miller index.
➢These planes are equally spaced at distance dhkl . This

distance is defined as:
a
cubic
d hkl =
h2 + k 2 + l 2
Inter-planer
"ES 103: Materials Distance
Design and Processing"
Crystal Structure of Solids
An Introduction
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Planar Density: Example
Planer density for (111) plane of FCC:
1 1 Z
(3 
+3  )atoms
PD110 = 6 2
2
a 3
Y
2 (111)
2 4 X
= 2 = 2
a 3 a 3
2
a = 2 2R
1 (111) Plane
PD110 =
2 3R 2 in FCC
Seven Systems
P, C, I, F
1. Triclinic (a ≠ b≠c and a ≠ b ≠  ≠ 90)
HW: Calculate planar density of 14 lattices
➢ Different planes have different atomic density
➢ Responsible for anisotropic nature of crystals
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Directions in Hexagonal Crystals: Miller Bravais
➢ Miller-Bravais indices [U V t W] are related to conventional

miller indices [u v w] by:-
n
Miller-Bravais indices U = (2u − v)
are the projections 3
along a , a , a and c axis
1 2 3
n
V = (2v − u )
3
t = −(u + v)
W = nw
n= factor that may be required to reduce [U V t W]
to the smallest integer
Directions in Hexagonal Crystals: Miller Bravais
Related to “l” index, W
Related to
Related to “k” index, V
“t” index Related to “h” index, U
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(U V t W)
t=-(U+V)
(U V t W)
t=-(U+V)
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(U V t W)
t=-(U+V)
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Atomic Arrangement: Voids

➢ Empty space between atoms
➢ Geometry depends on the Voids in Crystals

packing type
➢ A different type of atom

(smaller radius) can fix in the Square -
tetrahedral octahedral
void to form a new crystal bipyramid
system
N=4, N=6, N=8,

Angle=109.47° Angle=90° Angle=70.53°
N= Coordination Number:
Angle=
Atomic Arrangement: Tetrahedral Void
R
r
Tetrahedral Void Tetrahedral arrangement
Radius of void(r)
Radius Ratio =
Radius of atom(R)
r
= 0.225
R
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Atomic Arrangement: Octahedral Void
r R
Octahedral Void
Radius Ratio:
r
= 0.414
R
Atomic Arrangement: Square Bipyramid Void
r
R
Square –bipyramid Void
Radius Ratio:
r
= 0.732
R
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Atomic Arrangement: Voids in Cubic Close Packing
Octahedral Void Tetrahedral Void
➢No of octahedral voids per unit cell= 1+12/4 =4

➢No of tetrahedral voids per unit cell= 8
Atomic Arrangement: Voids in BCC
Octahedral Void Tetrahedral Void
➢No of octahedral voids per unit cell= 6/2+12/4 =6

➢No of tetrahedral voids per unit cell= 24/2= 12
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Atomic Arrangement: Voids in BCC

HW: Show voids in 14 lattices
More Crystal Structures

1. Structures simple cubic symmetry
▪ CsCl
▪ Pervoskite
▪ Diamond
▪ NaCl
▪ Zinc Blende
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NaCl Structure
➢ The unit cell of sodium chloride is cubic FCC
➢The unit cell can be drawn with either the Na+ ions at the corners, or with
the Cl- ions at the corners.
➢ Na and Cl atoms form interpenetrated FCC structures such that one
occupies the octahedral voids of the other
NaCl Structure
Atomic positions
1 1 1 1 1 1
Na : ( , , 0), (0, , ), ( , 0, ), (000)
2 2 2 2 2 2
1 1 1 1 1 1
Cl : ( , 0, 0), (0, 0, ), ( , 0, 0), ( , , )
2 2 2 2 2 2
➢ Examples:
KCl,KBr,MgO, AgBr
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Cont… NaCl Structure
Pervoskite Structure: (ABX3)
Atom positions:
1 1 1
A : (000); B : ( , , );
2 2 2
1 1 1 1 1 1
X : (0, , ), ( , 0, ), ( , , 0)
2 2 2 2 2 2
➢The perovskite structure is adopted by many

oxides that have the chemical formula ABO3
Diamond Structure
A diamond cubic lattice can be thought of as two interpenetrating face-centered
cubic lattices with one displaced by 1/4 of the diagonal along a cubic cell,
➢ Basis contains 2 carbon

atoms displaced by ¼ of
the body diagonal
➢ Four out of eight
tetrahedral voids of a
carbon FCC structure are
occupied by other carbon
atoms
1 1 1 1 1 1
(000),( , ,0),(0, , ),( ,0, )
2 2 2 2 2 2
1 1 1 1 3 3 3 1 3 3 3 1
( , , ),( , , ),( , , ),( , , )
4 4 4 4 4 4 4 4 4 4 4 4
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Zinc Blende (ZnS) Structure
• Similar to diamond
• Basis:
– ZnS molecule
• Half of the tetrahedral
voids of Zinc/Sulfur
FCC lattice are
occupied by
Sulfur/Zinc atoms
Zinc Blende (ZnS) Structure
➢Examples:
CuCl, ZnS, InSb, CdS
➢Atom Positions:
1 1 1 1 1 1
Zn : (000), ( , , 0), (0, , ), ( , 0, )
2 2 2 2 2 2
1 1 1 1 3 3 3 1 3 3 3 1
S : ( , , ), ( , , ), ( , , ), ( , , )
4 4 4 4 4 4 4 4 4 4 4 4
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Graphene Sheet
➢ Hexagonal
arrangement of carbon
atoms
➢ Found in carbon
allotropes like graphite,
carbon nanotubes etc.
Graphite structure
➢Layered structure (Graphene Sheets )

➢Hexagonal arrangement
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X-RAY DIFFRACTION
X − ray wavelength  Interplaner spacing
➢ Crystal planes behave

like grating for X-rays
Crystal planes diffract
the incident X-ray beam
➢ Depending on the crystal symmetry,

diffracted beams interfere constructively or destructively
X-ray diffraction: Bragg’s Law
Bragg’s Reflection
Rays 1 and 2 interfere
constructively if
Path Difference =nλ
Total p.d. = AB + BC
But AB = BC = dhkl sin
Diffraction condition is:
2 dhkl sin = n 
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d1
d3
d2 d4
➢ Different plane diffracts at different angles depending on

interplaner spacing d
➢ For a particular crystal structure we have selection rules

for planes to diffract constructively
Selection Rules for cubic lattices
Simple cubic
➢ Simple cubic:
▪ All sets of planes diffract
➢ Body Centered Cubic:
▪ Planes for
h+k+l is even will diffract
➢ Face Centered Cubic:
▪ Planes having
all h, k, l either odd or even will diffract
55

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06-02-2020

Amazing World of Materials: Crystal Structures

C Prof. Kamal K. Kar

Role of Crystal Structures

Modulus will be same

Role of Crystal Structures

oak and maple: stronger than steel

Role of Crystal Structures

oak and maple: stronger than steel

Role of Crystal Structures

Is density related to other material properties?

Is density related to other material properties?

Is density related to other material properties?

• Crystallography is the study of atomic and

Crystalline Polycrystalline Amorphous

❖A long range structure exists in which atoms

❖ Made up of an aggregate of many small single

❖ The atoms or molecules are arranged in an

Example : Glass, Plastic, rubber, etc. Silica

ME222a: Nature and Properties of Materials

A crystalline solid can be constructed from a Unit cell plus

Unit Cell Translation along Translation along Translation along

3 D Unit Cell: Lattice Parameters

➢ Basic structural unit which forms the crystal structure by its

➢ Defined by three vectors a, b, c and the angles α, β,  between

A parallelepiped is generated by the vectors

All three sides different

𝑉 = 𝑎𝑏𝑐 1 − 𝑐𝑜𝑠2α − 𝑐𝑜𝑠2𝛽 − 𝑐𝑜𝑠2𝛾 + 2𝑐𝑜𝑠𝛼𝑐𝑜𝑠𝛽𝑐𝑜𝑠𝛾

All three sides different,

Two right angles, third arbitrary

All three sides different,

All three right angles

All three sides equal,

All three right angles

All three sides equal,

All three angles equal,

Two sides equal,

All three right angles

Two sides equal, third arbitrary,

Two right angles,

Lattice points only at the corners of the

Lattice points at the corners

Effective number of Lattice points / cell=

Lattice points at the corners

Seven systems lead to 28 crystal structures:14 Bravais lattices

1. Triclinic (a ≠ b≠c and a ≠ b ≠  ≠ 90)P, C, I, F

Seven Systems: Triclinic body-center

Seven Systems: Hexagonal Body-centered

Hexagonal (a=b≠c and a=b=  =90)

Seven Systems: Trigonal Body-centered

Trigonal/Rhombohedral (a=b=c & a=b= ≠ 90)

Seven Systems: Monoclinic Face-centered

Monoclinic (a ≠ b≠c and a=  =90 ≠ b)

Seven Systems: Triclinic Face-centered

Seven Systems: Tetragonal Face-centered

Seven Systems: Hexagonal Face-centered

Hexagonal (a=b≠c and a=b=  =90)

Seven Systems: Trigonal Face-centered

Seven Systems: Tetragonal Base-center