MATERIAL SCIENCE

Structure of Metals and Ceramics

Crystal Systems
It is sometimes convenient to divide them into
groups according to unit cell configurations and/or atomic
arrangements.
Based on unit cell geometry or unit cell parallelepiped.
Within this framework, an x, y, z coordinates system is
established with its origin at one of the unit cell corners;
each of the x, y, and z axes coincides with one of the
three parallelepiped edges that extends from this
corner.

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Structure of Metals and Ceramics

Crystal Systems
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 , , and . These are sometimes
called the lattice parameters of a crystal structure.
A unit cell with x, y, and z coordinates
showing axial lengths (a, b, and c) and
interaxial angles (, , ).

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Structure of Metals and Ceramics

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Structure of Metals and Ceramics

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Crystallographic Directions and Planes

When dealing with crystalline materials, it often becomes
necessary to specify some particular crystallographic plane
of atoms or a crystallographic direction. Labeling
conventions have been established in which three integers
or indices are used to designate directions and planes. The
basis for determining index values is the unit cell, with a
coordinate system consisting of three (x, y, and z) axes
situated at one of the corners and coinciding with the unit
cell edges. For some crystal systems namely, hexagonal,
rhombohedral, monoclinic, and triclinic the three axes are
not mutually perpendicular, as in familiar Cartesian
coordinate scheme.

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Crystallographic Directions and Planes

It is often necessary to be able to specify certain directions

and planes in crystals.
Many material properties and processes vary with direction
in the crystal.

Directions and planes are described using three integers Miller Indices

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Crystallographic Directions and Planes

Crystallographic Directions
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.

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Crystallographic Directions and Planes

Crystallographic Directions
3. These three numbers are multiplied or divided by a
common factor to reduce them to the smallest integer
volumes.
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.
For each of the three axes, there will exist both positive and
negative coordinates. Thus negative indices are also
possible, which are represented by a bar over the
appropriate index. Example:[1 11]

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Crystallographic Directions and Planes

The [100], [110], and [111]

directions within a unit cell.

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Crystallographic Directions and Planes

Families of Directions <uvw>

For some crystal structures, several nonparallel
directions with different indices are
crystallographically equivalent; this means that
atom spacing along each direction is the same.

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Crystallographic Directions and Planes

Miller Indices for Planes:

Crystallographic planes are specified by 3 Miller Indices
(h k l). All parallel planes have same Miller indices.

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Crystallographic Directions and Planes

Miller Indices for Planes:

4-Step Procedure:
1.Find the intercepts that the plane makes with the
three axes x,y,z. If the plane passes through origin
change the origin or draw a parallel plane elsewhere
(e.g in adjacent unit cell)
2. Take reciprocals of intercepts
3. Reduce to smallest integer values and remove the
fractions
4. Enclose in parentheses ( ),
no commas.

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Crystallographic Directions and Planes

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Crystallographic Directions and Planes

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Crystallographic Directions and Planes

The plane intersects the x-axis at point a. It runs parallel along y and z
axes.
Thus, this plane can be designated as (1,,)

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Crystallographic Directions and Planes

Likewise, the yellow plane can
be designated as (,1,)
And the green plane can be
written as (,,1)

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Crystallographic Directions and Planes

Miller Indices are the reciprocals of the parameters of each crystal face. Thus:

Pink Face
= (1/1, 1/, 1/) = (100)
Green Face
= (1/, 1/, 1/1) = (001)
Yellow Face
= (1/, 1/1, 1/) = (010)

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Crystallographic Directions and Planes

Whats the Miller Index of this plane?

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Crystallographic Directions and Planes

The plane of interest cuts two of the crystallographic axes.
Intercepts: (1,1, )

(110)

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Crystallographic Directions and Planes

Whats the Miller Index of this plane?

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Crystallographic Directions and Planes

This plane cuts two of the reference axes, but not equidimensionally.
Intercepts: (, 1, 0)

(210)

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Crystallographic Directions and Planes

example
1. Intercepts
2.

Reciprocals

3.

Reduction

4.

Miller Indices

a
1

b
1

1/1
1
1

1/1
1
1

1/
0
0

c
y

(110)
a
1/2

2.

1/
2

1/
0

1/
0

3.

Reduction

4.

Miller Indices

(100)

example
1. Intercepts
Reciprocals

x
c

y
a

x
22

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Crystallographic Directions and Planes

example
1.
2.

Intercepts
Reciprocals

1/2

3/4

1/

1/1

1/

4/3

3.

Reduction

4.

Miller Indices

z
c

(634)

23

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Crystallographic Directions and Planes

Determine the plane for the given indices. ( 0 1 1 )

24

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Crystallographic Directions and Planes

Determine the plane for the given indices. ( 1 0 0 )

25

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Crystallographic Directions and Planes

26

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Crystallographic Directions and Planes

27

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Crystallographic Directions and Planes

Family of Planes
Planes that are crystallographically equivalent have the
same atomic packing.
Also, in cubic systems only, planes having the same
indices, regardless of order and sign, are equivalent.
Ex: {111}

___

__

_ _

__

= (111), (111), (111), (111), (111), (111), (111), (111)

Ex: {100} = (100), (010), (001), (100), (010), (001)

28

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Crystallographic Directions and Planes

Notation Summary
(h,k,l) represents a point note the exclusive use of
commas
Negative numbers/directions are denoted with a bar on
top of the number
[hkl] represents a direction
<hkl> represents a family of directions
(hkl) represents a plane
{hkl} represents a family of planes

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Crystallographic Directions and Planes

1. Problem:
Determine the indices for the direction shown in
the accompanying figure.

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Crystallographic Directions and Planes

Solution
The vector, as drawn, passes through the origin of
the coordinate system, and therefore no translation is
necessary. Projections of this vector onto the x, y, and z
axes are, respectively, a/2, b, and 0c, which become , 1,
and 0 in terms of the unit cell parameters. /reductions of
these numbers to the lowest set of integers is accompanied
by multiplication of each by the factor 2. This yields the
integers 1, 2, and 0, which are then enclosed in brackets as
[120].

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Crystallographic Directions and Planes

Solution
This procedure may be summarized as follows:

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Crystallographic Directions and Planes

2. Problem:
Determine the indices for the directions shown in
the following cubic unit cell.

 MATERIAL SCIENCE

Crystallographic Directions and Planes

3. Problem:
Determine the indices for the directions shown in
the following cubic unit cell.

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Crystallographic Directions and Planes

4. Problem:
Determine the Miller indices of directions A, B,
and C.

(c) 2003 Brooks/Cole Publishing / Thomson

Learning

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Crystallographic Directions and Planes

SOLUTION
Direction A
1. Two points are 1, 0, 0, and 0, 0, 0
2. 1, 0, 0, -(0, 0, 0) = 1, 0, 0
3. No fractions to clear or integers to reduce
4. [100]
Direction B
1. Two points are 1, 1, 1 and 0, 0, 0
2. 1, 1, 1, -(0, 0, 0) = 1, 1, 1
3. No fractions to clear or integers to reduce
4. [111]
Direction C
1. Two points are 0, 0, 1 and 1/2, 1, 0
2. 0, 0, 1 (1/2, 1, 0) = -1/2, -1, 1
3. 2(-1/2, -1, 1) = -1, -2, 2

4. [ 1 22]

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Crystallographic Directions and Planes

5. Problem:
Within a cubic unit cell, sketch the following
directions:
(a) [110]

(e) [111]

(b) [121]

(f) [122]

(c) [012]

(g) [123]

(d) [133]

(h) [103]

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References:
Fundamentals of Materials Science and Engineering, 5th Ed.
William D. Callister Jr.
Computational Materials Science: An Introduction
J. G. Lee

Molecular Modeling Technique in Materials Sciences

J. R. Hill
Engineering Materials 1 & 2: An Introduction to
Properties, Applications and Design
M. Ashby & D.R.H. Jones