4.

3 Miller–Bravais Indices 151

Ha1 þ Ka2 þ Lc ¼ ha1 þ ka2 þ ia3 + lc ð4:1Þ

Since, the axes a1, a2 and a3 are related to each other by a rotation of 120°, the
vector sum

a1 þ a2 þ a3 ¼ 0 or a3 ¼  ð a1 þ a2 Þ

Substituting the value of a3, Eq. 4.1 becomes

Ha1 þ Ka2 þ Lc ¼ ha1 þ ka2 - i (a1 + a2 ) + lc ð4:2Þ

Comparing the coefficients of a1, a2 and c in Eq. 4.2, we obtain

H ¼ h  i; K¼ki and L¼1

An inverse transformation gives us

1 1 1
h ¼ ð2H  KÞ; k = ð2K  HÞ; i ¼ ðh þ kÞ ¼  ðH þ KÞ,l ¼ L
3 3 3

Figure 4.15 shows the Miller–Bravais indices of principal directions in the basal
plane of hexagonal crystal system.
Solved Examples
Example 1 Change the three index system of Miller indices (310), ð123Þ, (011),

(346), and ð423Þ into four index system of Miller–Bravais indices.
Solution: We can determine the value of the index i and hence the Miller–Bravais
indices using the formula i = –( h + k). The Miller–Bravais indices are shown in
the right column.

Fig. 4.15 Miller–Bravais

indices of principal directions
in the basal plane of
hexagonal crystal system
152 4 Unit Cell Representations of Miller Indices

Miller indices Miller–Bravais indices

(310) ð3140Þ or (31.0)
ð123Þ ð1213Þ or ð12:3Þ
(011) ð0111Þ or (01.1)
(346)  Þ or (34.6)
ð3476
 Þ
ð423 ð4223Þ or ð42:3Þ

Example 2 Replace the dots by numerals from the following shortened Miller–
Bravais notations: (11.2), (10.3), ð1
1:4Þ, (12.6), ð2
4:5Þ, (21.3), (01.2), ð
13:2Þ,
   
ð11:2Þ, ð22:3Þ and ð14:4Þ.
Solution: We can determine the value of i and hence the value of dot by using the
formula i = − (h + k). The full Miller–Bravais notations of the above shortened


notations are: ð1122Þ, ð1013Þ, ð1
104Þ ð12
36Þ ð2
425Þ, ð2133Þ, ð0112Þ, 1322 ,
ð1122Þ, ð2203Þ and ð1434Þ.
Example 3 Determine the Miller–Bravais indices for the following directions:
[100], [010] and [110]. Show that they belong to the same family.
Solution: Given: Three directions: [100], [010] and [110] in three index system.
The given directions can be changed into four index system Miller–Bravais indices
by using the following conversion formula:

1 1 1
h ¼ ð2H  KÞ, k ¼ ð2K  HÞ, i = -ðh + kÞ = - ðH + KÞ, l = L
3 3 3

Let us find them one by one.

Case I: Given: [HKL]  [100]. Using the conversion formula, we can write
Miller–Bravais Indices h k i l
2
3  13  13 0
Removing fractions 2 −1 −1 0

⟹ The required Miller–Bravais indices are: ½2

110.
Case II: Given: [HKL]  [010]. Using the conversion formula, we can write.
Miller–Bravais indices h k i l
 13 2
3  13 0
Removing fractions −1 2 −1 0

⟹ The required Miller–Bravais indices are: ½

12
10.
4.3 Miller–Bravais Indices 153

Case III: Given: [HKL]  [110]. Using the conversion formula, we can write.
Miller–Bravais indices h k i l
1
3
1
3  23 0
Removing fractions 1 1 −2 0

⟹ The required Miller–Bravais indices are: ½11 20.

The above calculations show that: ½2110, ½1210 and ½11
    20 belong to the same
family.
Example 4 Show that in a hexagonal crystal system, the Miller–Bravais indices
are related as

i ¼  ð h þ kÞ or h þ k þ i ¼ 0:

Proof We know that in a hexagonal unit cell a = b 6¼ c and a = b = 90° 6¼ c =

120°. The basal plane of the same is shown in Fig. 4.16.
Let an arbitrary plane (hkil) makes intercepts p on a1, q on a2, – r on a3 (and s on
c) axes, respectively. Since the axes a1, a2, and a3 are related to one another by a
rotation of 120° (about c-axis), they represent equivalent directions. The unit
translation on each of these axes is the same, that is, a. Therefore, the intercepts
along the four axes are:
a a a c
p ¼ ;q ¼ ;r ¼ and s ¼
h k i l

Fig. 4.16 Intercepts of (hkil)

plane on different axes
154 4 Unit Cell Representations of Miller Indices

Draw a line DC parallel to OB, so that the Δ OCD is an equilateral triangle and
the length of its sides, OD = DC = r (Fig. 4.16). Further, the Δ AOB and Δ ADC
are similar, so that

DC OB
¼
AD OA
r q
or ¼
pr p

or rp ¼ qðp  rÞ ¼ qp  qr

Substituting the values of p, q, and r, we have

a      
a   a a   a a 1 1 1
 ¼    or ¼ þ
i h k h k i ih hk ki

Now, multiplying both sides by hki, we obtain

i ¼  ð h þ kÞ or h þ k þ i ¼ 0:

4.4 Interplanar Spacing

Two methods are used to determine the interplanar spacing between two consec-
utive parallel planes. They are briefly described below.
1. Using Cartesian geometry
With the knowledge of indexing of crystal planes and directions, it is now possible
to determine the formula of interplanar spacing between two consecutive parallel
planes in a given unit cell. We shall limit our discussion to the unit cells which are
expressed in terms of the orthogonal coordinate axes, so that simple Cartesian
geometry is applicable. Thus let us consider three mutually perpendicular axes Ox,
Oy and Oz, and assume that a plane (hkl) parallel to the plane passing through the
origin, makes intercepts a/h, b/k and c/l on the three axes at A, B and C, respec-
tively, as shown in Fig. 4.17. Further, let OP (= d, the interplanar spacing) be
normal to the plane drawn from the origin and makes angles a; b and c, respec-
tively, with the three orthogonal axes. Therefore, we can write: OA = a/h, OB = b/
k, OC = c/l and OP = d.
From triangle OPA etc., we have

OP d OP d OP d
cos a ¼ ¼ ; cos b ¼ ¼ and cos c ¼ ¼
OA a=h OB b=k OC c=l
4.4 Interplanar Spacing 155

Fig. 4.17 (hkl) plane

intercepting x, y and z axes at
A, B and C, respectively

Now, making use of the direction cosine, which states that

cos2 a þ cos2 b þ cos2 c ¼ 1 ð4:3Þ

and substituting the values of cos a, cos b and cos c in Eq. 4.3, we obtain

d2 d2 d2
þ þ ¼1
ða=hÞ2 ðb=kÞ2 ðc=lÞ2

or
 
h2 k2 l 2
2
d 2 + 2+ 2 ¼1
a b c

So that
 1=2
h2 k2 l 2
d ¼ + + ð4:4Þ
a 2 b2 c 2

This is a general formula and applicable to the primitive lattice of orthorhombic,

tetragonal and cubic systems.
(i) Tetragonal system: a = b 6¼ c, the above Eq. 4.4, reduces to

 2 2 1=2
h +k l2
d ¼ + 2
a2 c

(ii) Cubic system: a = b = c, the above Eq. 4.4, reduces to