Lattice Points and Directions in

the Unit Cell

o Miller-indices - A shorthand notation to describe

certain crystallographic directions and planes in a
material.

Lattice directions are in direct space and are denoted

by [ ] brackets. A negative number is represented
by a bar over the number.

Directions of a form (also called family) -

Crystallographic directions that all have the same
characteristics, although their ‘‘sense’’ may be
different. Denoted by <> brackets, they are
symmetrically equivalent

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 Lattice Planes in the Unit Cell are
an altogether different matter !
o Miller-indices - A shorthand notation to describe
certain crystallographic directions and planes in a
material.
Lattice planes are represented by the vector that is
normal (perpendicular to them), these are 3D
vectors in reciprocal (or dual) space (reciprocal
space is nothing fancy - it is just a mathematical
convenience !)
Directions of a form (also called family) – lattice planes
that all have the same characteristics, although
their ‘‘sense’’ may be different. Denoted by {}
brackets, they are symmetrically equivalent. Now if
the lattice point represents more than one point the front side and the
back side of one and the same plane may have very different chemical
properties as different atoms will be exposed, e.g. ZnS structure

21
 We start with the
coordinates of
lattice points in
order to define
the Miller indices
of lattice
directions

Coordinates of selected points in the unit cell. The

number refers to the distance from the origin in
terms of lattice parameters.
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Determining Miller Indices of Directions
Determine coordinates of two
points that lie in direction of
interest,
u1 v1 w1 and u2 v2 w2
calculations are simplified if the second
point corresponds with the origin of the
coordinate system

Subtract coordinates of second

point from those of first point
u’ = u1-u2, v’ = v1-v2, w’ = w1-w2

Clear fractions from the

differences to give indices in
lowest integer values. Write
indices in [] brackets. Negative
integer values are indicated with
a bar over the integer,

[uvw] and [uvw] are running in

opposite directions 23
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]
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Equivalency of crystallographic directions of a form in
cubic systems.
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26
Determining Miller Indices of Planes
Identify the coordinate
intersects of the plane, if plane
is parallel to one of the axes,
this intercept is taken to be
infinite

Take the reciprocal of the

intercept

Clear fractions, but do not

reduce to lowest integers

Cite in (h k l) parentheses

Negative integer values are

indicated with a bar over the
integer

(h k l) is the same plane as

(h k l) , just its back side
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Plane A
1. x = 1, y = 1, z = 1
2.1/x = 1, 1/y = 1,1 /z = 1
3. No fractions to clear
4. (111)

Plane B
1. The plane never intercepts the z axis, so x = 1, y = 2, and z = ∞
2.1/x = 1, 1/y =1/2, 1/z = 0
3. Clear fractions: 1/x = 2, 1/y = 1, 1/z = 0
4. (210)

Plane C
1. We shall move the origin, since the plane passes through 0, 0, 0.
Let’s move the origin one lattice parameter in the y-direction. Then,
x = ∞, y = -1, and z = ∞
2.1/x = 0, -1/y = -1, 1/z = 0
3. No fractions to clear. 4. (0 1 0)
that seemed a bit arbitrary, we could have moved the origin in the –
y direction as well, then we would have gotten (010), which is just
the back side of (0 1 0)
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 z
z intercept at ∞ b
Miller Indices (hkl) :
1 1 1 (210)
c 1 1 ×
x intercept at a/2 2

y
a
x Unit cell y intercept at b

(a) Identification of a plane in a crystal

z z (010) (010)
(010) (010)
(010)
y
y
x x
(001) (110)

(100)
z
z (111)
(110) (111)

y
–y
y x
x
–z
(b) Various planes in the cubic lattice 29
30
 Drawing Direction and Plane

Draw (a) the [1 2 1] direction and (b) the [ 2 10] plane in a

cubic unit cell.

Construction
of a (a)
direction and
(b) plane
within a unit
cell

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SOLUTION
a. Because we know that we will need to move in the
negative y-direction, let’s locate the origin at 0, +1, 0.
The ‘‘tail’’ of the direction will be located at this new
origin. A second point on the direction can be
determined by moving +1 in the x-direction, 2 in the
negative y-direction, and +1 in the z direction.
b. To draw in the [ 2 10] plane, first take reciprocals of
the indices to obtain the intercepts, that is:
x = 1/-2 = -1/2 y = 1/1 = 1 z = 1/0 = ∞
Since the x-intercept is in a negative direction, and we
wish to draw the plane within the unit cell, let’s move
the origin +1 in the x-direction to 1, 0, 0. Then we can
locate the x-intercept at 1/2 and the y-intercept at +1.
The plane will be parallel to the z-axis.

32
 Same basic idea for lattice planes, i.e. their normals
which are vectors in reciprocal (or dual) space
everything is easy in cubic systems, in other crystal
systems we use reciprocal metric tensor, the
reciprocal 3 by 3 matrix of the metric tensor

 b 2c 2 sin 2 α abc 2 (cos α cos β − cos γ ab2c (cos α cos γ − cos β 

 
 abc (cos α cos β − cos γ ) a 2c 2 sin 2 β a bc(cos β cos γ − cos α 
2 2

 ab 2c(cos α cos γ − cos β a 2bc(cos β cos γ − cos α a 2b2 sin 2 γ 

 
If cubic
simply, So angle between


1 0 0 
a 2
normals of lattice
this also  1  planes become
 0 0 
a2
defines  0 0 1 2 
the  a  h' Gk
α = arccos
reciproc h' Gh k ' Gk
al lattice
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Metric tensor (and its reciprocal) also define
reciprocal lattice
−1
a* = ( b c sin α ) = b × c
2 2 2

b* = ( a 2c 2 sin 2 β ) −1 = a × c
−1
c* = ( b a sin γ ) = b × a
2 2 2

It is just a mathematical convenience, particularly

useful for interpretation of (X-ray and electron
diffraction) data

d* = H = h a1* + ka2* + l a3*= 1/d

a
In cubic systems simply: d hkl =
h +k +l
2 2 2
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 Covalent Structures

o Covalently bonded materials frequently have

complex structures in order to satisfy the
directional restraints imposed by the bonding.
o Diamond cubic (DC) - A special type of face-
centered cubic crystal structure found in
carbon, silicon, α-Sn, and other covalently
bonded materials.

81
(a) The zinc blende unit cell, (b) plan view. There
is usually a large covalent contribution to these
bonds. The coordination is quite low for ionic bonds.
78
 C

a
a

Fig. 1.33: The diamond unit cell is cubic. The cell has eight atoms.
Grey Sn (α-Sn) and the elemental semiconductors Ge and Si have
this crystal structure.
82
 S

a
Zn

a
a

Fig. 1.34: The Zinc blende (ZnS) cubic crystal structure. Many
important compound crystals have the zinc blende structure.
Examples: AlAs, GaAs, GaP, GaSb, InAs, InP, InSb, ZnS, ZnTe.
83