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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
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
Chapter 3 - 7
Chapter 3 - 8
Point Coordinates
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.
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.
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
- Changing the signs of all indices produces an antiparallel direction; that is,
is directly opposite to
.
Solution:
Chapter 3 - 13
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
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
Crystallographic Directions
z
1. Vector repositioned (if necessary) to pass through
origin.
=>
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.
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.
Chapter 3 - 20
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