Crystal Systems

The space lattice points in a crystal are occupied by atoms.

The position of any atom in the 3-D lattice can be described by a vector:
ruvw = ua + vb + wc, where u, v and w are integers.

(b) A unit cell with x, y, and z

coordinate axes, showing axial
lengths (a, b, and c) and
interaxial angles (, ,
and).
Fig.a

Fig.b

The three unit vectors, a, b, c can define a cell as shown by the shaded region in Fig.(a).
This cell is known as unit cell (Fig. b) which when repeated in the three dimensions
generates the crystal structure.
The 6 parameters indicated in Fig.b, and are sometimes termed the lattice parameters of
a crystal structure. On this basis there are 7 different possible combinations of a, b, and c,
and , , and , each of which represents a distinct crystal system. These 7 crystal
systems are cubic, tetragonal, hexagonal, orthorhombic, rhombohedral (trigonal),
monoclinic, and triclinic.

Chapter 3 - 1

Bravais Lattice
The unit vectors a, b and c are called lattice
parameters. Based on their length equality or
inequality and their orientation (the angles
between them,, and ) a total of 7 crystal
systems can be defined. With the centering (face,
base and body centering) added to these, 14
kinds of 3-D lattices, known as Bravais lattices,
can be generated.

Crystal Systems

14 3-D lattices (Bravais lattices)

Table 3.2 Lattice Parameter
Relationships and Figures
Showing Unit Cell
Geometries for the Seven
Crystal Systems
Chapter 3 - 2

Crystal Systems
1
1

2
4

Chapter 3 - 3

Crystal Systems
3
6

4
10

11

Chapter 3 - 4

Crystal Systems

14

13

12

Chapter 3 - 5

Crystal Systems

Some examples:

Chapter 3 - 6

Crystallographic Points, Directions, And Planes

Miller indices - A shorthand notation to describe certain crystallographic
directions and planes in a material. Denoted by [ ], < >, ( ) brackets. A negative
number is represented by a bar over the number.

Chapter 3 - 7

Crystallographic Points, Directions, And Planes

When dealing with crystalline materials, it often becomes necessary to specify a
particular point within a unit cell, a crystallographic direction, or some crystallographic
plane of atoms.
Labeling conventions have been established in which three numbers (indices) are used
to designate point locations, directions, and planes.
The basis for determining index values is the unit cell, with a right-handed coordinate
system consisting of three (x, y, and z) axes situated at one of the corners and coinciding
with the unit cell edges, as shown in the Fig. below.

Fig. A unit cell with x, y, and z coordinate

axes, showing axial lengths (a, b, and c)
and interaxial angles (, , and).

Chapter 3 - 8

Point Coordinates

- Point coordinates for unit cell center are

a/2, b/2, c/2 ( )
- Point coordinates for unit cell corner are 111

Translation: integer multiple of lattice

constants identical position in another
unit cell.
Chapter 3 - 9

Point Coordinates
The position of any point located within a unit cell may be specified in terms of its
coordinates as fractional multiples of the unit cell edge lengths (i.e., in terms of a, b, and c).
The position of P in terms of the generalized coordinates q, r, and s (q is some fractional
length of a along the x-axis, r is some fractional length of b along the y-axis, and similarly
for s.
Thus, the position of P is designated using coordinates q r s with values that are to 1.

Figure 3.5 The manner in which the q, r,

and s coordinates at point P within the
unit cell are determined. The q
coordinate (which is a fraction)
corresponds to the distance qa along the
x axis, where a is the unit cell edge
length. The respective r and s
coordinates for the y and z axes are
determined similarly.
Chapter 3 - 10

Question: Specify point coordinates for

all atom positions for a BCC unit cell.

Solution:

Chapter 3 - 11

Crystallographic Directions
A crystallographic direction is defined as a line between two points, or a vector.
The following steps are used to determine 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.

Fig.3.6 The [100], [110], and

[111] directions within a unit
cell.

Chapter 3 - 12

Crystallographic Directions
For each of the three axes, there will exist both positive and negative coordinates.
The negative indices are represented by a bar over the appropriate index.
- For example, the

direction would have a component in the (- y) direction.

- Changing the signs of all indices produces an antiparallel direction; that is,
is directly opposite to
.

Determination of Directional Indices

Question: Determine the indices for the direction
shown in the accompanying figure.

Solution:

Chapter 3 - 13

Construction of Specified Crystallographic Direction

Question: Draw a

direction within a cubic unit cell.

Solution:

For this
direction, the projections along the x, y, and z axes are a, - a, and 0a,
respectively. This direction is defined by a vector passing from the origin to point P, which
is located by first moving along the x axis a units, and from this position, parallel to the y
axis a units, as indicated in the figure. There is no z component to the vector, because the z
projection is zero.
Chapter 3 - 14

Miller Indices, Directions

Determine the Miller indices of directions A, B, and C.
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 2 2]
Chapter 3 - 15

Crystallographic Directions

pt. 2
head

Example 2:
pt. 1 x1 = a, y1 = b/2, z1 = 0
pt. 2 x2 = -a, y2 = b, z2 = c

y
x

pt. 1:
tail

=> -2, 1/2, 1

Multiplying by 2 to eliminate the fraction

-4, 1, 2 => [ 412 ]

where the overbar represents a

negative index

families of directions <uvw>

Chapter 3 - 16

Crystallographic Directions

z
1. Vector repositioned (if necessary) to pass through
origin.

2. Read off projections in terms of unit cell dimensions

a, b, and c
3. Adjust to smallest integer values

4. Enclose in square brackets, no commas [uvw]

ex: 1, 0, => 2, 0, 1 => [ 201 ]

-1, 1, 1

=>

[ 111 ] where overbar represents a negative index.

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.
Chapter 3 - 17

Crystallographic Planes
The orientations of planes for a crystal structure are represented in a similar manner as the
directional indices of a crystal. The unit cell is the basis, with the three-axis coordinate
system as represented in Figure 3.4 below.
In all but the hexagonal crystal system, crystallographic planes are specified by three
Miller indices as (hkl).
Any two planes parallel to each other are equivalent and have identical indices.

Fig.3.4 A unit cell with x, y, and z coordinate

axes, showing axial lengths (a, b, and c) and
interaxial angles (, , and).

Chapter 3 - 18

Crystallographic Planes
The procedure used to determine 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).

Chapter 3 - 19

Crystallographic Planes
An intercept on the negative side of the origin is indicated by a bar or minus sign positioned
over the appropriate index. Furthermore, reversing the directions of all indices specifies
another plane parallel to, on the opposite side of, and equidistant from the origin.
Summary of (hkl) index numbers determination procedure

Miller Indices: Reciprocals of the (three) axial intercepts for a plane, cleared of
fractions & common multiples. All parallel planes have same Miller indices.

If the plane passes through the origin, either:

Construct another plane, or
Create a new origin
Then, for each axis, decide whether plane intersects or parallels the axis.
Algorithm for Miller indices
1. Read off intercepts of plane with axes in terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no commas, (hkl)

Chapter 3 - 20

Crystallographic planes are

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

One interesting and unique

characteristic of cubic crystals is
that planes and directions having
the same indices are perpendicular
to one another;
however, for other crystal systems
there are no simple geometrical
relationships between planes and
directions having the same indices.

Chapter 3 -

Crystallographic Planes

z
example
1. Intercepts
2. Reciprocals
3.

Reduction

a
1
1/1
1
1

4.

Miller Indices

(110)

example
1. Intercepts
2. Reciprocals
3.

Reduction

a
1/2
1/
2
2

4.

Miller Indices

(100)

b
1
1/1
1
1

1/
0
0

c
y
b

a
x

1/
0
0

1/
0
0

c
y
a

x
Chapter 3 - 22

Crystallographic Planes

z
example
1. Intercepts
2. Reciprocals
3.

Reduction

4.

Miller Indices

a
1/2
1/
2
6

b
1
1/1
1
3

(634)

c
c
3/4
1/
4/3

4 a
x

Family of Planes {hkl}

Ex: {100} = (100), (010), (001), (100), (010), (001)
Chapter 3 - 23