CRYSTAL

STRUCTURES
Prepared by
VISHAL MEHTA

Reference : Material Science and Engineering,

An Introduction by William D. Callister, Jr
 CONTENTS
Fundamental Concept Crystal System
Crystalline & Noncrystalline Materials Difference between Crystal Structure & Crystal System
Crystal Structure Seven Crystal System
Atomic Hard Sphere Model Crystallographic Points
Lattice Points Coordinates
Unit Cell Crystallographic Directions
Coordination Number Family of Crystallographic Directions
Atomic Packing Factor Crystallographic Direction for Hexagonal Crystal System
Unit Cell Length & Atomic Radius Crystallographic Planes
Metallic Crystal Structure Miller Indices
Face-Centered Cubic Crystal Structure Miller-Bravais Indices
Body-Centered Cubic Crystal Structure Family of Crystallographic Planes
Hexagonal Closed Packed Crystal Structure Crystallographic Plane for Hexagonal Crystal System
Density Computation Linear Density
Lattice Parameters Planar Density

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 2
 FUNDAMENTAL CONCEPT
Solid materials may be classified according to regularity
with which atoms or ions are arranged with respect to one
another.

Solid Materials

Crystalline Noncrystalline
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 CRYSTALLINE AND NONCRYSTALLINE STRUCTURE

Crystalline Noncrystalline
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 CRYSTALLINE MATERIAL
A crystalline material is one in which the atoms are
situated in repeating or periodic array over large atomic
distances; that is long-range order exists, such that upon
solidification, the atoms will position themselves in a
repetitive three-dimensional pattern, in which each atom
is bounded to its nearest-neighbor atoms.

NONCRYSTALLINE MATERIAL
A noncrystalline material is one which lacks a systematic
and regular arrangement of atoms over relatively large
atomic distances.
Also called AMORPHOUS or SUPERCOOLED LIQUID
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 CRYSTAL STRUCTURE
• The manner in which atoms, ions, or molecules are
spatially arranged is called crystal structure.
• Some of the properties of crystalline solids depend on
crystal structure of the materials.

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 ATOMIC HARD SPHERE MODEL
It is a model in which atoms (or ions) are thought of as being solid
spheres having well-defined diameters and these spheres
representing nearest-neighbor atoms touch one another.

An aggregate of many atoms A hard sphere unit cell representation

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 LATTICE
Lattice means a three dimensional array of points coinciding with
atom positions or sphere centers.

An aggregate of many atoms

Reduced sphere unit cell

A hard sphere unit cell representation
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 UNIT CELLS
In crystal structure, the entities or small groups of atoms subdivide
the structure and form repetitive pattern called Unit Cells.

An aggregate of many atoms

Reduced sphere unit cell

A hard sphere unit cell representation
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 COORDINATION NUMBER
For metals, each atom has the same number of nearest-neighbor or
touching atoms, which is called the coordination number.
5 6

1 2
For given hard
sphere unit cell,
coordination
7 number is 8
4 3
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 ATOMIC PACKING FACTOR (APF)
OR PACKING FRACTION OR PACKING EFFICIENCY

5 6

1 2 volume of atoms in a unit cell

𝐀𝐏𝐅 =
total unit cell volume

7
4 3
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 UNIT CELL LENGTH AND ATOMIC
RADIUS

a = Unit cell length

R = Atomic radius

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 METALLIC CRYSTAL STRUCTURE
Three relatively simple crystal structures are found for most of the
common metals.

Metallic Crystal Structure

FCC BCC HCP

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 FCC
Face-Centered Cubic crystal structure
• Coordination number is 12

An aggregate of many atoms

Reduced sphere unit cell

A hard sphere unit cell representation
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 Continue...
FCC
Face-Centered Cubic crystal structure
Metals having FCC crystal structure are
• Aluminum
• Copper
• Lead
• Nickel
• Silver
• Gold
• Platinum
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FCC
Face-Centered Cubic crystal structure
FCC unit cell volume (𝑽𝑪 )
A
• Volume of unit cell is 𝑉𝐶 = 𝑎3

• Considering triangle ABC

𝑎2 + 𝑎2 = 4𝑅 2
So, 𝑎 = 2𝑅 2

• Now 𝑉𝐶 = 𝑎3
3
𝑉𝐶 = 2𝑅 2
B C
𝑉𝐶 = 16 𝑅3 2
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 Continue...
FCC
Face-Centered Cubic crystal structure
Volume of atoms (spheres)
in FCC unit cell (𝑽𝑺 ) A
• 𝑉𝑆 = 𝑁𝑜 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
× 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚
• No of atoms in unit cell is
1 1
×6 + ×8 =3+1=4
2 8
4
• 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚 = 𝜋 𝑅3
3

C
4 16
• 𝑆𝑜, 𝑉𝑆 = 4 × 𝜋 𝑅 = 𝜋 𝑅3
3
3 3 B
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 Continue...
FCC
Face-Centered Cubic crystal structure
Atomic packing factor of FCC

volume of atoms in a unit cell 𝑽𝑺

𝐀𝐏𝐅 = =
total unit cell volume 𝑽𝑪

𝟏𝟔 𝟑
𝝅𝑹
∴ 𝑨𝑷𝑭 = 𝟑 = 𝟎. 𝟕𝟒
𝟏𝟔 𝑹𝟑 𝟐

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 BCC
Body-Centered Cubic crystal structure
• Coordination number is 8

An aggregate of many atoms A hard sphere unit cell representation Reduced sphere unit cell

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 Continue...
BCC
Body-Centered Cubic crystal structure
Metals having BCC crystal structure are
• Chromium
• Iron ( )
• Molybdenum
• Tantalum
• Tungsten

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 Continue...
BCC
Body-Centered Cubic crystal structure
BCC unit cell volume (𝑽𝑪 )
R

𝟒𝑹 = 𝟑 𝒂
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 Continue...
BCC
Body-Centered Cubic crystal structure
BCC unit cell volume (𝑽𝑪 )

• Unit cell volume (𝑽𝑪 ) = 𝑎 3

4
• 𝐴𝑛𝑑 𝑎 = 𝑅
3
4 3 64 3
3
∴ 𝑉𝐶 = 𝑎 = 𝑅 = 𝑅
3 3 3

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 Continue...
BCC
Body-Centered Cubic crystal structure
Volume of atoms (spheres) in
BCC unit cell (𝑽𝑺 )

• 𝑉𝑆 = 𝑁𝑜 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙

× 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚
• No of atoms in unit cell is
1
1 + ×8 =1+1=2
8
4
• 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚 = 𝜋 𝑅3
3
4 3 8
• 𝑆𝑜, 𝑉𝑆 = 2 × 𝜋 𝑅 = 𝜋 𝑅3
3 3
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 Continue...
BCC
Body-Centered Cubic crystal structure
Atomic packing factor of BCC

volume of atoms in a unit cell 𝑽𝑺

𝐀𝐏𝐅 = =
total unit cell volume 𝑽𝑪

𝟖 𝟑
𝝅𝑹
∴ 𝑨𝑷𝑭 = 𝟑 = 𝟎. 𝟔𝟖
𝟔𝟒 𝟑
𝑹
𝟑 𝟑
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 24
 HCP
Hexagonal Close-Packed crystal structure
• Coordination number is 12

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 Continue...
HCP
Hexagonal Close-Packed crystal structure

An aggregate of many atoms A hard sphere unit cell representation

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 Continue...
HCP
Hexagonal Close-Packed crystal structure

A hard sphere unit cell representation Reduced sphere unit cell

(Equivalent to three primitive cells)
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 Continue...
HCP
Hexagonal Close-Packed crystal structure
Metals having HCP crystal structure are
• Cadmium
• Cobalt
• Titanium ( )
• Zinc

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 )

• Here unit cell is Hexagonal Prism.

• So, Unit cell volume (𝑽𝑪 )
= Area of Hexagon × Length of Hexagon

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 )
R R
R
R = Atomic Radius R
a = HCP Unit cell edge length of hexagon
a
a = 2R

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 )
Area of Hexagon = 6 × Area of equilateral triangle
1
R R Area of equilateral triangle = × ℎ𝑒𝑖𝑔ℎ𝑡 × 𝑏𝑎𝑠𝑒
2
R 2
R 2𝑅 3
a ℎ𝑒𝑖𝑔ℎ𝑡 = 2𝑅 2 − = (2𝑅)
2 2
𝑏𝑎𝑠𝑒 = 2𝑅
𝟑 𝟑 𝟐
𝑨𝒓𝒆𝒂 𝒐𝒇 𝑯𝒆𝒙𝒂𝒈𝒐𝒏 = 𝟐𝑹
𝟐

2R = 𝟔 𝟑 𝑹𝟐

Top view of Unit cell 2R

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 )

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 ) • Height of the hexagonal
prism = 2(PT)

P • PS=PQ=PR=QR=RS=QS=2R

P Q S
R T
Q S
T N
Q T S
R R
𝑆𝑁 = (𝑆𝑅)2 −(𝑅𝑁)2
∴ 𝑆𝑁 = 3 𝑅
2 2
∴ 𝑆𝑇 = 𝑆𝑁 = 𝑅
3 3
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 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 ) • Height of the hexagonal
prism = 2(PT)

P • PS=PQ=PR=QR=RS=QS=2R
P
P
R
Q S
T
Q T S
T S
R
𝑃𝑇 = (𝑃𝑆)2 −(𝑆𝑇)2
2
∴ 𝑃𝑇 = 2 𝑅
3

2
∴ 𝐻𝑒𝑖𝑔ℎ𝑡 = 2(𝑃𝑇) = 4 𝑅
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3 34
 Continue...
HCP
Hexagonal Close-Packed crystal structure
HCP unit cell volume (𝑽𝑪 )
• Unit cell volume (𝑽𝑪 ) = Area of Hexagon × Length of Hexagon

2
2
= 6 3𝑅 × 4 𝑅
3

= 24 2 𝑅3

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
Volume of atoms (spheres) in HCP unit cell (𝑽𝑺 )
• 𝑉𝑆 = 𝑁𝑜 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
× 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚
• No of atoms in unit cell is
1 1
3 + ×2 + × 12 = 3 + 1 + 2 = 6
2 6
4
• 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑛 𝑎𝑡𝑜𝑚 = 𝜋 𝑅3
3
4 24
• 𝑆𝑜, 𝑉𝑆 = 6 × 𝜋 𝑅 = 𝜋 𝑅3
3
3 3

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 Continue...
HCP
Hexagonal Close-Packed crystal structure
Atomic packing factor of HCC

volume of atoms in a unit cell 𝑽𝑺

𝐀𝐏𝐅 = =
total unit cell volume 𝑽𝑪

24 3
𝜋𝑅 𝜋
∴ 𝑨𝑷𝑭 = 3 = ≈ 𝟎. 𝟕𝟒
24 2 𝑅3 3 2

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 Continue...
HCP
Hexagonal Close-Packed crystal structure

• For HCP crystal structure,

the ration of long edge to
short edge should be 1.633
(i.e. c/a = 1.633)
• For some HCP metals this
ratio deviates from the ideal
value.

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 38
 DENSITY COMPUTATIONS
Theoretical density of metal is
𝒏𝑨
𝝆=
𝑽𝑪 𝑵𝑨
n = number of atoms associated with each unit cell
A = atomic weight
VC = volume of the unit cell
NA = Avogadro’s number (6.023 ×1023 atoms/mol)
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 Exercise Problem
• Question :
Copper has an atomic radius of 0.128 nm, an FCC crystal
structure, and an atomic weight of 63.5 g/mol. Compute its
theoretical density and compare the answer with its measured
density.
• Answer : Refer book
“Material Science and Engineering, An Introduction”

by William D. Callister, Jr

EXAMPLE PROBLEM 3.3

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 LATTICE PARAMETERS
• The unit cell geometry is
completely defined in terms of
six parameters:
• the three edge lengths a, b,
and c, and the three interaxial
angles 𝛼, 𝛽 and 𝛾
• These six parameters are
sometimes termed as the
lattice parameters of a crystal
structure.
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 CRYSTAL SYSTEM
• Crystal System is a system
based on the different
possible combinations of
Lattice Parameters (the
three edge lengths a, b,
and c, and the three
interaxial angles 𝛼, 𝛽 and 𝛾)
• There are seven possible
Crystal Systems
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 DIFFERENCE BETWEEN CRYSTAL
STRUCTURE & CRYSTAL SYSTEM
• A crystal structure is described by both the
geometry of, and atomic arrangements within,
the unit cell, whereas a crystal system is
described only in terms of the unit cell
geometry.
• For example, face-centered cubic and body-
centered cubic are crystal structures that
belong to the cubic crystal system.
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 43
 SEVEN CRYSTAL SYSTEMS
1. CUBIC CRYSTAL SYSTEM
Axial Relationships
𝒂=𝒃=𝒄

Interaxial Angles
𝜶 = 𝜷 = 𝜸 = 𝟗𝟎°

Examples
𝑵𝒂𝑪𝒍, 𝑲𝑪𝒍, 𝑪𝒂𝑭𝟐
Unit Cell Geometry
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 Continue…
SEVEN CRYSTAL SYSTEMS
2. TETRAGONAL CRYSTAL SYSTEM
Axial Relationships
𝒂=𝒃≠𝒄

Interaxial Angles
𝜶 = 𝜷 = 𝜸 = 𝟗𝟎°

Examples
𝑺𝒏𝑶𝟐 , 𝑻𝒊𝑶𝟐
Unit Cell Geometry
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 SEVEN CRYSTAL SYSTEMS Continue…

3. ORTHORHOMBIC CRYSTAL SYSTEM

Axial Relationships
𝒂≠𝒃≠𝒄

Interaxial Angles
𝜶 = 𝜷 = 𝜸 = 𝟗𝟎°

Examples
𝑩𝒂𝑺𝑶𝟒 , 𝑲𝑵𝑶𝟑 , 𝑲𝟐 𝑺𝑶𝟒
Unit Cell Geometry
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 SEVEN CRYSTAL SYSTEMS Continue…
4. RHOMBOHEDRAL (TRIGONAL)
CUBIC CRYSTAL SYSTEM
Axial Relationships
𝒂=𝒃=𝒄

Interaxial Angles
𝜶 = 𝜷 = 𝜸 ≠ 𝟗𝟎°

Examples
Ice & Graphite
Unit Cell Geometry
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 SEVEN CRYSTAL SYSTEMS Continue…

5. HEXAGONAL CRYSTAL SYSTEM

Axial Relationships
𝒂=𝒃≠𝒄

Interaxial Angles
𝜶 = 𝜷 = 𝟗𝟎°, 𝜸 = 𝟏𝟐𝟎°

Examples
𝑷𝒃𝑰𝟐
Unit Cell Geometry
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 SEVEN CRYSTAL SYSTEMS Continue…

6. MONOCLINIC CRYSTAL SYSTEM

Axial Relationships
𝒂≠𝒃≠𝒄

Interaxial Angles
𝜶 = 𝜸 = 𝟗𝟎° ≠ 𝜷

Examples
𝑪𝒂𝑺𝑶𝟒 . 𝟐𝑯𝟐 𝑶
Unit Cell Geometry
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 SEVEN CRYSTAL SYSTEMS Continue…

7. TRICLINIC CRYSTAL SYSTEM

Axial Relationships
𝒂≠𝒃≠𝒄

Interaxial Angles
𝜶 ≠ 𝜷 ≠ 𝜸 ≠ 𝟗𝟎°

Examples
𝑪𝒖𝑺𝑶𝟒 . 𝟓𝑯𝟐 𝑶
Unit Cell Geometry
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 Summery of Seven
Crystal Systems 𝑎=𝑏=𝑐 4 𝛼 = 𝛽 = 𝛾 ≠ 90°

1
𝑎=𝑏≠𝑐 5 𝛼 = 𝛽 = 90°, 𝛾 = 120°
𝛼 = 𝛽 = 𝛾 = 90° 2

3 𝛼 = 𝛾 = 90° ≠ 𝛽
6
𝑎≠𝑏≠𝑐
7 𝛼 ≠ 𝛽 ≠ 𝛾 ≠ 90°

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 51
 Summery of Seven Crystal 1.Cubic
Systems
2.Tetragonal

𝑎=𝑏=𝑐 4 𝛼=𝛽=𝛾 3.Orthorhombic

1 ≠ 90°

𝑎=𝑏≠𝑐 5 𝛼 = 𝛽 = 90°, 𝛾
𝛼 = 𝛽 = 𝛾 = 90° 2 = 120° 4.Rhombohedral
(Trigonal)
3 6
𝛼 = 𝛾 = 90° ≠ 𝛽
𝑎≠𝑏≠𝑐
5.Hexagonal
7 𝛼 ≠ 𝛽 ≠ 𝛾 ≠ 90°

6.Monoclinic

7.Triclinic

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 52
 Summery of Seven Crystal 1.Cubic
Systems
2.Tetragonal

𝛼=𝛽=𝛾 3.Orthorhombic
𝑎=𝑏=𝑐 4 ≠ 90°
1
𝛼 = 𝛽 = 𝛾 = 90° 2
𝑎=𝑏≠𝑐 5 𝛼 = 𝛽 = 90°, 𝛾 = 120° 4.Rhombohedral
(Trigonal)
𝛼 = 𝛾 = 90°
3 6 ≠𝛽
𝑎≠𝑏≠𝑐
𝛼≠𝛽≠𝛾 5.Hexagonal
7 ≠ 90°

6.Monoclinic

7.Triclinic

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 53
 CRYSTALLOGRAPHIC POINTS
• Crystallographic points
are the points located
within the unit cell.
• Here, P is the
crystallographic point
which is located
somewhere in some
unit cell.
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 54
 POINTS COORDINATES
• Points coordinates are
the fractional multiples
required to locate
crystallographic point in
unit cell.
• Here, q, r & s are the
point coordinates as
fractional multiples.
• Represented like qrs
(without commas & brackets)

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 55
Example Problem
𝟏 𝟏
Locate the point having coordinates 𝟏 for the unit
𝟒 𝟐
cell shown in figure (a) Answer :
From the figure
a = 0.48 nm
b = 0.46 nm
c = 0.40 nm
And as per given in question
1
𝑞=
4
𝑟=1
1
𝑠=
2
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Example Problem
𝟏 𝟏
Locate the point having coordinates 𝟏 for the unit
𝟒 𝟐
cell shown in figure (a)
Answer :
From the figure • So the point is far with
a = 0.48 nm respect to origin
b = 0.46 nm
• In X direction aq = 0.12 nm
c = 0.40 nm
And as per given in question • In Y direction br = 0.46 nm
1 • In Z direction cs = 0.2 nm
𝑞=
4
𝑟=1
1
𝑠=
2
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 57
Example Problem
𝟏 𝟏
Locate the point having coordinates 𝟏 for the unit
𝟒 𝟐
cell shown in figure (a)

• So the point is far with

respect to origin
• In X direction aq = 0.12 nm
• In Y direction br = 0.46 nm
• In Z direction cs = 0.2 nm
(as shown in figure (b))

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 58
 Exercise Problem
• Question :
Specify point coordinates for all atom positions for a BCC unit cell.
• Answer : Refer book
“Material Science and Engineering, An Introduction”

by William D. Callister, Jr

EXAMPLE PROBLEM 3.5

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 59
 CRYSTALLOGRAPHIC DIRECTION
• A crystallographic direction is defined as a line between two points, or a vector.
• The following steps are utilized in the determination of the three directional indices:
1. A vector of convenient length is positioned such that it passes through the origin
of the coordinate system. Any vector may be translated throughout the crystal
lattice without alteration, if parallelism is maintained.
2. 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.
3. These three numbers are multiplied or divided by a common factor to reduce
them to the smallest integer values.
4. The three indices, not separated by commas, are enclosed in square brackets,
thus: [uvw]. The u, v, and w integers correspond to the reduced projections along
the x, y, and z axes, respectively.
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 60
 Continue…
CRYSTALLOGRAPHIC DIRECTION
Z

• Find three crystallographic

direction for the given figure.

X
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 Continue…
CRYSTALLOGRAPHIC DIRECTION
Z
• Head coordinates (1,1,0)
• Tail coordinates (0,0,0)
• Subtraction (head-tail)
= (1,1,0)
Y
• Direction is [110]

X
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 62
 Continue…
CRYSTALLOGRAPHIC DIRECTION
Z
• Head coordinates (1,1,1)
• Tail coordinates (0,0,0)
• Subtraction (head-tail)
= (1,1,1)
Y
• Direction is [111]

X
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 63
 Continue…
CRYSTALLOGRAPHIC DIRECTION
Z
• Head coordinates (0,1,1)
• Tail coordinates (1,1,0)
• Subtraction (head-tail)
= (-1,0,1)
Y
• Direction is 101
• (negative sign is indicated by bar)
X
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 64
 EXAMPLE PROBLEM
• Determine the indices for the direction shown in the
accompanying figure
Answer :
𝒂 𝟏
𝒂𝒒 = 𝒔𝒐 𝒒 =
𝟐 𝟐
𝒃𝒓 = 𝒃 𝒔𝒐 𝒓 = 𝟏
𝒄𝒔 = 𝟎 𝒔𝒐 𝒔 = 𝟎
𝟏
• 𝑆𝑜, 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑝𝑎𝑟𝑎𝑚𝑒𝑡𝑒𝑟𝑠 𝑎𝑟𝑒 𝟏 𝟎
𝟐
• Now by multiplication or division convert
it in to smallest integer.
• Here we multiply all parameters with 2.
• So after multiplication 1 2 0
• Final representation of answer is [120]
(without comma or space)

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 65
 Exercise Problem
• Question :
Draw a [110] direction within a cubic unit cell.

• Answer : Refer book

“Material Science and Engineering, An Introduction”

by William D. Callister, Jr

EXAMPLE PROBLEM 3.7

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 66
 FAMILY OF
CRYSTALLOGRAPHIC DIRECTIONS
• For simple cubic crystal the effect in
directions 100 , 100 , 010 , 010 , 001 ,
001 are same.
• It means these all directions are
equivalent.
• So these all directions are parts of a
single family called family of
crystallographic directions.
• It is represented by <> angle brackets.
• In <> angle brackets one can write any
direction of its group. All are same.
• 100 𝑎𝑛𝑑 010 𝑟𝑒𝑝𝑟𝑒𝑠𝑒𝑛𝑡 𝑠𝑎𝑚𝑒 𝑎𝑛𝑑 𝑠𝑖𝑛𝑔𝑙𝑒 𝑓𝑎𝑚𝑖𝑙𝑦
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 67
 FAMILY OF Continue…

CRYSTALLOGRAPHIC DIRECTIONS

• Question : Write the members of family 𝟏𝟎𝟎

• Answer : 100 , 010 , 001

100 , 010 , 001

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 68
 FAMILY OF Continue…

CRYSTALLOGRAPHIC DIRECTIONS
• Family of crystallographic direction depends upon
crystal system.
• For all the crystal system except hexagonal, one can
represent family of crystallographic directions with
three parameters in <> angle brackets.
• A problem arises for crystals having hexagonal
symmetry in that some crystallographic equivalent
directions will not have the same set of indices.

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 69
 CRYSTALLOGRAPHIC DIRECTIONS
FOR HEXAGONAL CRYSTEL SYSTEM
• For Hexagonal Crystal System, instead of
three axes, four axes are utilized.
• The three and axes are all contained
within a single plane (called the basal
plane) and are at 120˚ angles to one
another.
• The z axis is perpendicular to this basal
plane.
• Directional indices are denoted as [uvtw].
• First three indices pertain to projections
along the respective a1, a2 and a3 axes in
Miller–Bravais coordinate system the basal plane.
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 70
 CONVERSION FROM THE THREE-INDEX
SYSTEM TO THE FOUR-INDEX SYSTEM
• [u’v’w’]→[uvtw]
• u‘, v’ & w’ are
respected to the three
axes a1, a2 and z of
one out of three
parallelepipeds of
hexagonal cell
• Family representation
is 𝑢𝑣𝑡𝑤
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 71
 CONVERSION FROM THE THREE-INDEX
SYSTEM TO THE FOUR-INDEX SYSTEM
• [u’v’w’]→[uvtw]

1 ′ ′
𝑢= 2𝑢 − 𝑣
3
1 ′ ′
𝑣= 2𝑣 − 𝑢
3
𝑡 =− 𝑢+𝑣
𝑤 = 𝑤′
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 72
 CRYSTALLOGRAPHIC DIRECTIONS
FOR HEXAGONAL CRYSTEL SYSTEM
1

• How to achieve direction

1, 2 & 3 shown in figure ?

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 73
 CRYSTALLOGRAPHIC DIRECTIONS
FOR HEXAGONAL CRYSTEL SYSTEM
For direction 1
1
• 𝑢′ = 0 (𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎1 𝑎𝑥𝑖𝑠)
• 𝑣 ′ = 0 𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎2 𝑎𝑥𝑖𝑠
• 𝑤 ′ = 1 𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑧 𝑎𝑥𝑖𝑠
Now
1 ′ ′ 1
• 𝑢= 2𝑢 − 𝑣 = 2(0) − 0 = 0
3 3
1 1
• 𝑣= 2𝑣 ′ − 𝑢′ = 2(0) − 0 = 0
3 3
• 𝑡 =− 𝑢+𝑣 =− 0+0
• 𝑤 = 𝑤′ = 1
So, crystallographic direction is [0001]

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 74
 CRYSTALLOGRAPHIC DIRECTIONS
FOR HEXAGONAL CRYSTEL SYSTEM
For direction 2
• 𝑢′ = 1 (𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎1 𝑎𝑥𝑖𝑠)
• 𝑣 ′ = 1 𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎2 𝑎𝑥𝑖𝑠
• 𝑤 ′ = 0 𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑧 𝑎𝑥𝑖𝑠
Now
1 1 1
• 𝑢 = 3 2𝑢′ − 𝑣 ′ = 3 2(1) − 1 = 3
1 1 1
• 𝑣= 2𝑣 ′ − 𝑢′ = 3 2(1) − 1 = 3
3
2
• 𝑡 = − 𝑢 + 𝑣 = −3
• 𝑤 = 𝑤′ = 0
1 1 2
Now four parameters are 3 , 3 , − 3 & 0 in which all are no
2 integers.
So convert all parameters in to integers by multiplication or
division.
Here multiplication is done by 3
So, final parameters are 1, 1, -2, 0
Thus, crystallographic direction is 𝟏𝟏𝟐𝟎

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 75
 CRYSTALLOGRAPHIC DIRECTIONS
FOR HEXAGONAL CRYSTEL SYSTEM
For direction 3
1
• 𝑢′ = 2 (𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎1 𝑎𝑥𝑖𝑠)
1
• 𝑣 ′ = − 𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎2 𝑎𝑥𝑖𝑠
2
′
• 𝑤 = 0 𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑧 𝑎𝑥𝑖𝑠
Now
1 1 1 1 1
• 𝑢= 2𝑢′ − 𝑣 ′ = 2 − −2 =
3 3 2 2
1 1 1 1 1
• 𝑣= 2𝑣 ′ − 𝑢′ = 2 −2 − = −2
3 3 2
• 𝑡 =− 𝑢+𝑣 =0
• 𝑤 = 𝑤′ = 0
1 1
Now four parameters are 2 , − 2 , 0 & 0 in which all are no
integers.
So convert all parameters in to integers by multiplication or
division.
3 Here multiplication is done by 2
−𝑎2 So, final parameters are 1, 1, 0, 0
Thus, crystallographic direction is 𝟏𝟏𝟎𝟎
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 76
 EXAMPLE PROBLEM
•Determine the
indices for the
direction shown
in the hexagonal
unit cell of given
figure.

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 77
 Continue…
EXAMPLE PROBLEM
• Answer:
• First identify the projection for given direction
For given direction
• 𝑢′ = 1
(𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎1 𝑎𝑥𝑖𝑠)
• 𝑣′ = 1
𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑎2 𝑎𝑥𝑖𝑠
• 𝑤′ = 1
𝑝𝑟𝑜𝑗𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑛 𝑧 𝑎𝑥𝑖𝑠

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 78
 Continue…
EXAMPLE PROBLEM
Now
1 ′ ′ 1 1
• 𝑢= 2𝑢 − 𝑣 = 2 1 −1 =
3 3 3
1 1 1
• 𝑣= 2𝑣 ′ − 𝑢′ = 2 1 − 1 =
3 3 3
2
• 𝑡 =− 𝑢+𝑣 = −
3
• 𝑤 = 𝑤′ = 1
1 1 2
Now four parameters are , , − & 1 in which all are no integers.
3 3 3
So convert all parameters in to integers by multiplication or
division.
Here multiplication is done by 3.
So, final parameters are 1, 1, -2 & 3.
Thus, crystallographic direction is 𝟏𝟏𝟐𝟑
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 79
 CRYSTALLOGRAPHIC PLANES

Crystallographic planes are

the planes in crystal systems
represented by Miller indices
(in all except hexagonal) or
Miller-Bravais indices (in
hexagonal).
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 80
 CRYSTALLOGRAPHIC PLANES
•Miller Indices : In crystal system (all
except hexagonal), crystallographic
planes are specified by (three) indices,
called Miller Indices (hkl).
• Miller-Bravais Indices : For hexagonal
crystal system four indices are used to
specify the crystallographic planes
called Miller-Bravais Indices (hkil).
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 81
 PROCEDURE TO FIND MILLER INDICES
The procedure employed in determination of the h, k, and l index numbers is as follows:
1. If the plane passes through the selected origin, either another parallel plane must be
constructed within the unit cell by an appropriate translation, or a new origin must be
established at the corner of another unit cell.
2. At this point the crystallographic plane either intersects or parallels each of the three axes;
the length of the planar intercept for each axis is determined in terms of the lattice
parameters a, b, and c.
3. The reciprocals of these numbers are taken. A plane that parallels an axis may be considered
to have an infinite intercept, and, therefore, a zero index.
4. If necessary, these three numbers are changed to the set of smallest integers by
multiplication or division by a common factor.
5. Finally, the integer indices, not separated by commas, are enclosed within parentheses, thus:
(hkl).
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 82
 EXAMPLE PROBLEM
• Determine the Miller indices for the plane shown in the
accompanying figure.
Answer :
• First check weather given plane is passing from
origin or not ?
• If not, consider the given origin
• If yes, new origin must be chosen at the corner
of an adjacent unit cell
• Here given plane is passing from origin. So here
new plane will be chosen at the corner of an
adjacent unit cell.

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 83
 Continue…
EXAMPLE PROBLEM

New
origin
is
chosen

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 84
 Continue…
EXAMPLE PROBLEM
• After selecting new origin, find
intercept in terms of lattice
parameters (i.e. projections in
three axes )
• Here pane is parallel to X axis. So
intercept in terms of lattice
parameter of X axis is ∞.
• In same way for Y axis is –1
1
• And for Z axis is
2
• Thus three intercept in terms of
lattice parameters are
1
∞ , −1 &
2
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 85
 Continue…
EXAMPLE PROBLEM
• Now find the reciprocal.
• Here reciprocals are 0, -1 &
2.
• If they all are not integers,
covert all in to integers by
multiplication or division.
• Here all are integers. So one
can directly represent the
plane.
• Final answer is 𝟎𝟏𝟐
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 86
 EXAMPLE PROBLEM
• Construct a 𝟎𝟏𝟏 plane within a cubic unit cell.
Answer :
• In this problem Miller-indices are already given.
• So one have to follow the reverse methodology.
• Find reciprocal of given indices 0, -1 & 1
• So the reciprocals are ∞, −1 & 1
• It means plane is intersecting on X axis at ∞. In other words, it is parallel
to X axis
• Plane is intersecting on Y axis at -1
• And on Z axis, intersection is at 1
• So if we consider cubic unit cell with lattice parameter a, b and c,
intercepts are ∞𝑎, −𝑏 & 𝑐
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 87
 Continue…
EXAMPLE PROBLEM
• So now try to generate the plane for which intercepts are ∞𝑎, −𝑏 & 𝑐

(Final Answer)
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 88
 FAMILY OF
CRYSTALLOGRAPHIC PLANES
• As we have discussed in crystallographic direction, family of
crystallographic direction represents group of equivalent
directions.
• In same equivalent planes are also represented by a group,
called family of crystallographic planes.
• It is represented by indices of any one plane in { } curl
brackets.
• For example, in cubic crystals the
111 , 111 , 111 , 111 , 111 , 111 , 111 𝑎𝑛𝑑 111
are equivalent and represented by a family.
• 111 & 111 are same and single family.
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 89
 FAMILY OF Continue…

CRYSTALLOGRAPHIC PLANES

• Question : Write the members of family 𝟎𝟎𝟏

• Answer : 001 , 010 , 100

001 , 010 , 100

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 90
 CRYSTALLOGRAPHIC PLANE FOR
HEXAGONAL CRYSTAL SYSTEM
• For hexagonal crystal system,
crystallographic plane is
specified by four (instead of
three) lattices called Miller-
Bravais Lattices
• It is represented by (hkil)
• Here i = - (h + k)
• hkl are the indices obtained
from the intercepts with respect
to a1, a2 and z axis
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 91
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

1 How to achieve the

3
Miller-Bravais lattices
for plane 1, 2 & 3
shown in figure ?

2
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 92
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

Plane 1
• First check whether plane is passing
through origin or not.
1 • Here plane is not passing from origin.
• Plane is intersecting on a1 axis at
negative side (i.e at -1)
• And for a2 & z, plane is parallel
−𝑎1
• It means plane is intersecting on a2 and
z at ∞
• So intercepts in terms of lattice
parameters are −𝟏, ∞, ∞
• Reciprocals are -1, 0, 0

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 93
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

Plane 1
• It means
• h = -1
1 • k=0
• l=0
• i = - (h+k) = -(-1+0) = 1

−𝑎1
• And crystallographic plane is
represented by 𝒉𝒌𝒊𝒍

• So final answer is 𝟏𝟎𝟏𝟎

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 94
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

Plane 2
• First check whether plane is
passing through origin or not.
• Here plane is passing through
origin.
• So new origin must be chosen
−𝑎1
at the corner of an adjacent
unit cell
• There are more than one
2
options to choose origin.
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 95
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

• Few options are shown in figure
with which you can choose
as an origin
• One can select any origin,
whatever planes obtained at the
end by selecting different
origins, are equivalents.

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 96
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

• Randomly we are selecting our new origin with
• Here plane is parallel to a1 and a2 axes.
• It means intersection of plane and axes are at ∞
• Plane is intersecting z axis at +1
• So intercepts in terms of lattice parameters are ∞,
∞, 1
• And reciprocals are 0, 0, 1
• Thus h = 0, k = 0, l = 0
• Now i = - ( h + k ) = - ( 0 + 0 ) = 0
• crystallographic plane is represented by ℎ𝑘𝑖𝑙

• So final answer is 𝟎𝟎𝟎𝟏

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 97
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

Plane 3
• First check whether plane is passing
through origin or not.
• Here plane is not passing from origin.
3 • Plane is intersecting on a1 axis at
positive side (i.e at +1)
• For a2 axis, plane is parallel
• And for z axis, plane is intersecting at
+1
• So intercepts in terms of lattice
parameters are 1, ∞, 1
• Reciprocals are 1, 0, 1
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 98
 CRYSTALLOGRAPHIC PLANE FOR
Continue…

HEXAGONAL CRYSTAL SYSTEM

Plane 3
• So,
• h=1
• k=0
3 • l=1
• So i = -(h+k) = - (1+0) = -1
• crystallographic plane is
represented by 𝒉𝒌𝒊𝒍

• So final answer is 𝟏𝟎𝟏𝟏

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 99
 EXAMPLE PROBLEM
• Determine the Miller–Bravais indices for the plane shown in
the hexagonal unit cell.
Answer :
• First check whether plane is passing through
origin or not.
• Here plane is not passing from origin.
• Plane is intersecting on a1 axis at positive side
(i.e at +1)
• Plane is intersecting on a2 axis at negative side
(i.e at -1)
• Plane is intersecting on a1 axis at positive side
(i.e at +1)
• So intercepts in terms of lattice parameters are
1, −1, 1
• Reciprocals are 1, -1, 1
(no need to find reciprocals)
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 100
 Continue…
EXAMPLE PROBLEM
• Determine the Miller–Bravais indices for the plane shown in
the hexagonal unit cell.
Answer :
• So,
• h=1
• k = -1
• l=1
• So i = -(h+k) = - (1+(-1)) = 0
• crystallographic plane is represented by 𝒉𝒌𝒊𝒍
• So final answer is 𝟏𝟏𝟎𝟏
• Notice that the third index is zero (i.e., its
reciprocal = ∞ ), which means that this plane is
parallel to the a3 axis.

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 LINEAR DENSITY
• Linear density (LD) is defined as the number of atoms per unit length
whose centers lie on the direction vector for a specific crystallographic
direction

number of atoms centered on direction vector (𝑛𝑜 𝑢𝑛𝑖𝑡)

𝐿𝐷 =
length of direction vector (𝑛𝑚)

• Unit of Linear density is 𝒏𝒎−𝟏

• Linear Density of direction [uvw] is represented by 𝑳𝑫𝒖𝒗𝒘

• For example : Linear Density of direction [010] is represented by 𝑳𝑫𝟎𝟏𝟎
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 Continue…
LINEAR DENSITY

2 •How to find
Linear density of
three directions
given in figure ?
3

1
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 Continue…
LINEAR DENSITY
• Direction 1
number of atoms centered on direction vector
• 𝐿𝐷 =
length of direction vector
• No of atoms centered on direction vector means
number or R covered in linear length of direction
vector.
• Here for direction 1, no of R covered is two

R
one two
1 Empty space without any atom
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 104
 Continue…
LINEAR DENSITY

• Direction 1
number of atoms centered on direction vector
• 𝐿𝐷 =
length of direction vector
2
• 𝑆𝑜, 𝐿𝐷 =
length of direction vector

• Now find length of direction vector in

terms of R
R

1
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 Continue…

Body-Centered Cubic crystal structure

𝟒𝑹 = 𝟑 𝒂
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 Continue…
LINEAR DENSITY

• Direction 1
• Here length of direction vector is a.
4
• And 𝑎 = 𝑅 (from previous slide)
3

𝟐 𝟐 𝟑
• 𝑇ℎ𝑢𝑠, 𝑳𝑫 = = 𝟒 =
𝒂 𝑹 𝟐𝑹
𝟑
R

1
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 Continue…
LINEAR DENSITY
Empty space without any atom

• Direction 2 (face diagonal)

number of atoms centered on direction vector
• 𝐿𝐷 =
2 length of direction vector
• No of atoms centered on direction vector means
number or R covered in linear length of direction
vector.
• Here for direction 2, no of R covered is two
two
one

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 Continue…
LINEAR DENSITY
Empty space without any atom

• Direction 2 (face diagonal)

2
number of atoms centered on direction vector
• 𝐿𝐷 =
length of direction vector
2
• 𝑆𝑜, 𝐿𝐷 =
length of direction vector

• Now find length of direction vector in

terms of R
R

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 109
 Continue…

Body-Centered Cubic crystal structure

𝟒𝑹 = 𝟑 𝒂
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LINEAR DENSITY
Empty space without any atom

• Direction 2 (face diagonal)

2
• Here length of direction vector is 2𝑎
4
• And 𝑎 = 𝑅 (from previous slide)
3

𝟐 𝟐 𝟑
• 𝑇ℎ𝑢𝑠, 𝑳𝑫 = = 𝟒 =
𝟐𝒂 𝟐 𝑹 𝟐 𝟐𝑹
𝟑
R

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 Continue…
LINEAR DENSITY
• Direction 3 (body diagonal)
number of atoms centered on direction vector
• 𝐿𝐷 =
length of direction vector
• No of atoms centered on direction vector means
number or R covered in linear length of direction
vector.
• Here for direction 3, no of R covered is four.

three four
R
3 one two

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 Continue…
LINEAR DENSITY

• Direction 3 (body diagonal)

number of atoms centered on direction vector
• 𝐿𝐷 =
length of direction vector
4
• 𝑆𝑜, 𝐿𝐷 =
length of direction vector

• Now find length of direction vector in

terms of R
R
3

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 Continue…

Body-Centered Cubic crystal structure

𝟒𝑹 = 𝟑 𝒂
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 Continue…
LINEAR DENSITY

• Direction 3 (body diagonal)

• Here length of direction vector is 3𝑎
4
• And 𝑎 = 𝑅 (from previous slide)
3

𝟐 𝟐 𝟏
• 𝑇ℎ𝑢𝑠, 𝑳𝑫 = = 𝟒 =
𝟑𝒂 𝟑 𝑹 𝟐𝑹
𝟑
R
3

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 115
 PLANAR DENSITY
• Planar density (PD) is defined as the number of atoms per unit area
that are centered on a particular crystallographic plane
number of atoms centered on plane (𝑛𝑜 𝑢𝑛𝑖𝑡)
𝑃𝐷 =
area of plane (𝑛𝑚2 )

• Unit of Planar density is 𝒏𝒎−𝟐

• Planar Density of plane (hkl) is represented by 𝑷𝑫𝒉𝒌𝒍

• For example : Planar Density of plane (010) is represented by 𝑷𝑫𝟎𝟏𝟎

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 116
 EXAMPLE PROBLEM
• Find plane density of (110) plane in FCC unit cell
• Answer :
b

FCC unit cell Reduced sphere unit cell Atomic packing of FCC (110) plane

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 Continue…
EXAMPLE PROBLEM

number of atoms centered on plane

• 𝑃𝐷 =
area of plane

• Number of atoms centered on

plane means number of
projected area (i.e. circle) covered
in area of plane
Atomic packing of FCC (110) plane

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 118
 Continue…
EXAMPLE PROBLEM

• Here Number of atoms

centered on plane
𝟏 𝟏 𝟏
𝟒 𝟐 𝟒 = Number of projected area
(i.e.) circle covered in area
of plane
1 1 1 1 1 1
𝟏 𝟏 𝟏 = + + + + +
4 2 4 4 2 4
𝟒 𝟐 𝟒
= 2

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 119
 Continue...
EXAMPLE PROBLEM
Face-Centered Cubic crystal structure
b
A
• Area of (110) plane is = 𝑎 × 𝑏
• Here b (length) is 4R
• Considering triangle ABC
𝑎2 + 𝑎2 = 4𝑅 2
So, 𝑎 = 2𝑅 2
• Thus, Area = 4R × 2𝑅 2
= 8 2 𝑅2 B C
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 120
 Continue...
EXAMPLE PROBLEM
So,
number of atoms centered on plane
•𝑃𝐷110 =
area of plane

𝟐 𝟏
𝑷𝑫𝟏𝟏𝟎 = =
𝟖 𝟐 𝑹𝟐 𝟒 𝟐 𝑹𝟐

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 121
 EXAMPLE PROBLEM
• Find plane density of (110) plane in BCC unit cell
• Answer :
b

FCC unit cell Reduced sphere unit cell Atomic packing of BCC (110) plane

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 122
 Continue…
EXAMPLE PROBLEM

number of atoms centered on plane

• 𝑷𝑫 =
area of plane

• Number of atoms centered on

plane means number of
projected area (i.e. circle)
Atomic packing of BCC (110) plane
covered in area of plane

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 123
 Continue…
EXAMPLE PROBLEM

• Here Number of atoms

centered on plane
𝟏 𝟏
𝟒 𝟏 𝟒 = Number of projected area
(i.e.) circle covered in area
of plane
𝟏 𝟏 1 1 1 1
= + + + +1
4 4 4 4
𝟒 𝟒
= 2

Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 124
 Continue...
EXAMPLE PROBLEM
Body-Centered Cubic crystal structure

( )= b

𝟒𝑹 = 𝟑 𝒂
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 Continue…
EXAMPLE PROBLEM
b

• Area of (110) plane is = 𝑎 × 𝑏

4
• Here 𝑎 = 𝑅
3
2
• And b (length) is 2 𝑎 = 4𝑅
3
a

4 2
• Thus, Area = 𝑅 × 4𝑅
3 3
16
= 2 𝑅2
3
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 126
 Continue...
EXAMPLE PROBLEM
So,
number of atoms centered on plane
•𝑃𝐷110 =
area of plane

𝟐 𝟑
𝑷𝑫𝟏𝟏𝟎 = 16 =
2 𝟖 𝟐 𝑹𝟐
2𝑅
3
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 127
 END…
Prepared by VISHAL MEHTA || Reference : Material Science and Engineering, An Introduction by William D. Callister, Jr 128