O4[I 0]

0B [! 0 0
S.96á 02 !0
= 36110 cm =3.61A
The nearest distance in foc lattice is a / 2 Hence, the distance
oD[o
neighbour The digs in the squzre brackets indicate the indices of that direcaon The neave
berween two nearest copper aros tices are represented by a bar over that digit

3.61A 235 A The costal larioe mav be regarded as made p oo 22eregare oi a set ofg
egquidistant planespassing throueh the lattice points which ae keoun as ee plene
For given lettice, the iattice plans en e chosen ina diñerent nnber o ways ir
etampie (a), G). (c) and (d)s showa in fie (10) Thbe problern is that bowtodeim
13 DIRECTIONS,PLANESAND MILLER INDICES
Tbe basic necessity in a cystal analysis is the ablity to describe reletive
orientations of lines ani pianes Tais can be descnibed by a suitable frame
of referece
Far this pupose X and F x s (n case of two dimensions) and Yand Z-xes (in case
are showa
of three dmensions) a e scted oa a graph paper. in fig. (S) rwo directions

11) Fig (10)

a a plane in the aystal.Mille evolved ametbod todesignate aplenein agalby
nbers (&knowa as Mfiler inics This neiod is aow gKgy yed
Fig(8) TheMillerirndices ae thethree smllest pass+bleinteges ntici bre zhe s
asthe reciocais ofthe inzercepts of the plare concerneda ihetiee ze Ther
A znd B3
by arows in two
dimensions. These directions pass through origin and end at for finding Mille indies ae s follows
descr+bed the coordinates of the firt wbole O
respectively. The directions are by giving FistFus of all detemine the intercepts of pizne oa te èecoordinate axs
direction O4, it is (1, 1) and OB it ke he rec
rumbered point (z, F) through which each passes. Far
is (3. 1) Lastiy, reimce the reciprocals into whole aumbers Tis caa be done by
toole
shown in In this case also, the directicns
The three dimensionai pictre is fig. (9). muliplying each reciproca! by a munber obtz 2i ng
denomn2tor.
La us consider the Millee indices n paricula case -bee te plae cas te
interceptsof2,3 and 4 units alongthe tiareeaxes
(1 Intercps ze 23,4

)Reciprocal of these are

LCM **
) of denaminators, ie, 2,3 and4 is i2. Hence muiplying by 12,
have6, 4.3.
Thus the Mller indices ofthis plane is (6, 4, 3)
The geneal procedure is as follows:
L e t the intercepis by the givea laice plane on the tree zxs (X Y'ad
Fig.19) respectively a. q b. r c where a, b. c are the primiives zleng X Y Zzxs
bep
and p. q. r may be either snali integas or simpie fractions
numbered poin! /z, y, :} Generaly
are descnbedby the coordinaies of first whole
indicate a direction. Few direcüons are shoWT below
square brackets are used to
344 Unified Physics IV -ystal Systems
345

i) Take the reciprocal of p. q. r, i.e..

pqr Namerícal ExAMPLES
Now determine the smallest l in such a way that
ii) possible integers h, k,
EXAMPLET Ina crystal a lattice plane cuts
intercepts 2 a, 3 6c along the band
! three axes
where a, b and c are primitive vectors
of the unit cell. Determine the
h:k:l=P r Miller indices of the given
plane.
The number h, k, l are called Miller indices of the given set of planes. The plane is
Solution. Here, pa:q
specified as (h, k. ). b:rc=2a:3 b:6c
where a, b and c are
To make the idea of Miller indices more clear, we consider the Miller indices of primitive vectors of the unit cell.
some planes in p:qir=2:3:1
acubic crystalshown in fig. (1). It should alsobe remembered that
zt. (001 PLANE) Further, P 3:2:1
H H
or
h:k:1=3:2:1
D Hence the Miller indices of the
plane are (321).
x
EXAMPLE.2 Find the Miller indices of a set
of parallel planes which make
B (100 PLANE) in
intercepts
Y (010 PLANE)
the ratio 4 a, on the X and Y-axes and are
and c
parallel to the Z-azis, a, b
(a) (b) (c) being primitive vectors of the lattice.
Solution. When the planes are to the
parallel Z-axis, their intercept on Z-axis is
infinite. Hence
G

or
pa:qb:rc=4a :3b:mc
(111 PLANE) P:q:r=4:3:o
or
E -x p'L-3.4
53:4:0
h:k:l=3:4:0
B (110 PLANE) Thus the Miller indices of the
(d) (e) given set of planes are (340).
Fig.(11) EXAMPLE 3 In a
simple cubic lattice find the ratio of intercepts on the three
ac axes by (143,2) plane.
when aforce is parallelto an axis,itsintercepton the axisisinfinite.Considertheface Solution. Let a
CGFB. This face cutsthe X-axis at apoint Fandis parallelto Yand Z-axes.thesides plane cuts intercepts of lengths h, l2, l on the three axes, then
of thecubeis taken as one unitinlength,thentheintercepts made bythis planeon the 4:h:h =pa:qb:rc (1)
Ifh, k, I be the Miller indices, then
three axes
are 1:0;o,The reciprocalsofthe cuts are i.e., 1:0:0.Hence,the
h:k:l=:,
Miller indices ofthis face are (100).Similarly,aface ABCDis(0 10)plane {fig.11 (b)}
andface DCGH is a (00 1) plane (fig. 11(©)} Here a =b=candh =1,k =-3 and I =2
The diagonal plane AFGDIig. 11b)) hasequal intercepts ofIon Xand Y-axesand
is paraie to 2-axis, it is therefore (1 1 0) plane. 1:-3:2=:
Theface HAFcuts equal intercepts on thethree axes. The indicesarel:1:1. Thus
the Miller indices of this plane are (1 1 1). p:4: i * 6 ; -2:3
(2)
From eqs. (1) and (2),
 re Veiyihe dittTacted ra's wi! caie marmUr
n m
niensit t
The experunental arrangement of Laue method is shown fig (6). As shown V =T
igure. the crystal is held stationary in the beam of X-rays. ARer pass1ng through the where is an integer
Lead
From tigure,
diaphragmS AV = a
=AB cos cos 8
X-rays and
BM AB cos = a
, cos e
Pinoie1 a
It is usual to
(cos-cos ) =m A (2)
Crystal denote cos 6, and cos 0 by a, and a, known as directtonal cosines
Laue the incident and of
patterns diffractedvays. Hence
(a -a,) =nm à
Fig. (6) The above deduction can be
èxtended to the whole crystal considering it as three a
dimensional grating. Suppose a
crystal, the X-rays are diffracted and recorded on a photographic plate. The X-rays the crystal along the
direction cosines with respect to raenters path for which the
before passing through the crystal are limited to a fine pencil by a slit system (Lead After being diffracted by the three muually perpendicular axes are ao.Po and Yo
a
diaphragms). Here the diameter of the pinhole is important because smaller is the direction cosines are a, ß and
crystal let tray leave the crystal along path whose
diameter, sharper is the interference. y. This means that three conditions
should be satisfied
The X-rays which penetrate the crystal, are scattered from different atomic simultaneously. These conditions are
centres. This is a
diffiraction possible because there is a whole range in the
of wavelengths (a -a) =nm a
continuous spectrum and there will be discrete values of A which satisfy the Bragg a (B -P) =n^ a
no and
condition matter what maybe the orientation of the lattice planes. Here it should be a (y - Yo)=n^ A
where n,n2, ng are (4)
remembered that values of different angles will be different for each set of planes and integers. These are called Laue cquations.
each set of parallel planes will have its own particular value of the distance. We know diffracted ray
is
This means that every
characterisedby three numbers n, nz and n^ called the order
that atoms of crystal have an orderly arrangement in all these dimensions in space, numbers. These are different from the integral
orders of the spectra which occur in
hence the diffraction ofX-rays will octur from many families of atomic planes at once. relation. These relations represent the essential features of the theory of Bragg's
which it can
diffract at angle which it finds space lattice.
Each family
The
picking out the wavelength
cosists of and a
itself. diffraction pattern acentral spot a set of spots aranged in
14.6 CRYSTALLOGRAPHY BY POWDER
definite pattern about central spot. The symmetrical patterm of spot is known as Laue METHOD(1)
pattern. The Bragg's
Each spot in the Laue pattern coresponds toan interference maximum for a set of
spectrometer can be used to difract X-rays by using a
free from distortion. There
are a variety of materials, e.g.. metals,
single crystal
crystal plane satisfying the Bragg equation 2 dsin =nà for a particular wavelength which are available in alloys, powder, etc.
selected from the incident beam. The atomic arrangement in the crystal can, therefore,
nature. Actually only few
available in the form of micro-crystalline
a large substances are
be deduced from a study of the positions and intensities of the Laue spots. single Powder crystal method is a
standard
technique to study the structure of micro crystal.
Theory: Imagine a line grating (one dimensional lattice) with atoms on the line fom of very small crystals or in crystals (substances which are available in the
as diffracting centres. Let a be the lattice constant, i.e., the constant distance bet ween powder form). This method gives information
regarding the size of crystals, presence of impurities,
two successive lattice points. Suppose crystals, etc. distortion, preferred orientation of
monochromatic X-rays of wavelength A are incident The
on the space lattice. Tbe electrons in the atoms at the
experimental arangement of powder method is
shown in fig. (8). X -rays from
X-ray tube are allowed to pass through a filter F which
lattice points scatter X-rays in all directions absorbs all wavelengths
except
coherently. Let o be the complementary angle of
incidence (glancing angle) and 0 the complementary Fi9 (7)
angle of diffraction as shown in fig. (7). The path
difference between the two diffracted rays is
(AN BM)
C
Filter

Film

Fig. (8)
354 Unified Physics - IV
Structure Determination
one. In this way a monochromatic (single wavelength) beam ofX-rays is obtained. The 355
beam is collimated by passing it through two fine slits S and S2 cut in two lead plates.
(100) planes be d If d, be the distance
=
between (100) planes, then
This fine pencil of X-ray is made to fall on the powdered specimen C. (The specimen in
be the distance
between (11 1) planes, then d (d,/v2). Ifds
=
d, d,/V3. Thus, for simple cubic
the form of fine powdered state is struck on the fine wire in the path of X-ray beam). system
The specimen is located at the centre of drum shaped casette with photographic film at dd d =l :(//2):(//3)
the inner circumference.
The basic principle underlying this powdered technique is that in the powder,
million of micro-crystals have all possible random orientations. Among these very
large number ofmicro-crystals there will always exist some crystal whose lattice planes
are so oriented to satisfy the Bragg's relation n =2 d sin . Reflection therefore takess
place at these planes. For a value of 6, the beam appears at the corresponding 26,
deviation. As the parallel lattice planes with a given spacing d and same value of
n and 0 occur in all positions around the axis of the incident beam, the reflected rays
produce a cone with semi-vertical angle 2 0. For various set ofd and n, various cones of
rays are obtained. One such a cone is shown in fig. (8).
The scattered X-rays are incident on the photographic film. The intersections of
Fis.(10)
the different cones of the photographic film are series of concentric circular rings. Radii Experimental results show thát first order
of these rings (recorded on the film) can be used to find glacing angle. Now the planes of KCI are
from (100), (110) and
(111)
5°
obtained at glancing angles reflection
23', and 9° 25'
interplanar spacing of crystalline substance can be calculated. Hence, from Bragg's law 7R37' respectively.
The patterm recorded on the photographic film is showm in fig. (9) when the film is 1xl =2d sin =2
5° 23' d, sin 7°37' =2 d, sin
laid flat. Deu to the narrow width of the film, only parts of circular rings are registered 9°25'
or 1
on it. The curvature of arcs reverses when the angle of diffraction exceeds 90°. d :d:d =
sin 5° 23' sin 7° 37' sin 9o 25'

Thus, it becomes clear that KCl

belongs to the simple cubic system.
Photo film
14.8 STRUCTURE OF CsCL(1)
Fig. (9)
This
Let h,2, h, etc. be the distances between symmetrical lines on stretched
crystal has simple cubic structure with
cell Cs and CI ions as the basis. The unit
photograph and D, the diameter of cylindrical film, then of CsCI lattice is shown. in fig. (11). As is
obvious from the figure, Cs* ions are
46
TD 3 6 0 e or 6 Cs*
TD
Cst
90° 90°
Similarly, 9 and ,
nD

Using these values of 6 in Bragg's formula, interplanar spacing d can be

calculated.

Cs* Cs
4 7 STRUCTURE OF KC K----- a -----N

The crystal belongs to cubic crystal in which an atom lies at each corner ofthe cube Fig.(11
as shown in fig. (10). When the is repeated in all directions it gives space
structure situated at the comers of th cubic cell and C1 ions at
attice. In this case, there are three sets of planes which are rich in atoms. They are (100) the
the bedy centre or viee versa
crystal may be considered to be a smria
So
ke BCCH. (190) like EFCD, and 1!1) !ike EGD. dianes. Let the distance between combination of wo
 Unified Physics IV 349
348 cture Determination
some of incident from the various sets of rays will reinforce each other and produce an intense spot. Thus, the condition of
due to the reflections of X-rays
produced reinforcement is
Screen CB +BD =na
From fig. (2)
CB =BD =dsin 0
(-rays 2 dsin =n (1)
Nacl or where n=,23,...etc. for first order, second order, third order...etc.,
marima
Zn S respectively.The relation is known as Bragg's law.
crystal
Different directionsin whichintensereflections will be producedcan be obtained
by giving different values to , ie.
Fig. (1) for first maxima, Sin = A/2d
number of atoms. The Laue spot experiment for second maxima, sin 2 =2A/2d
parallel crystal planes which contain large for third maxima, sin =3 A/2 d etc.
has established following two important facts:
are electromagnetic waves of extremely short wavelengths. It should be remembered that the intensities go on decreasing as the order of the
) X-rays three-dimensional lattice. He
(ii) The atoms in a crystal are arranged in a regular spectrum increases.
Nobel prize in 1914 for this discovery. Theory of Bragg's Diffraction: When a beam of monochromatic X-rays falls
was awarded
on a crystal, each atom becomes a source of scattering radiations. It has already been
142 BRAGG'S LAW (5 mentioned that in a crystal there are certain planes which are particularly rich in atoms.
The combined scattering of X-rays from these planes can be looked upon as reflections
a distanced from these planes. Generally, the Bragg scattering is regarded as Bragg reflection and
Let us consider aset of parallellattice planes of a crystal separated by these planes
incident upon hence are known as Bragg planes. At certain glancing angles, reflections from these
apart. Suppose a narTOw beam of X-rays of wavelength à be
sets of parallel planes are in phase with each other and hence they reinforce each other
at angle as shown in Fig.(2). The beam will be reflected in all directions by the atoms to produce maximum intensity. For other angles, the reflections from different planes
S
P
are out of phase and hence they reinforce to produce either zero or yttemely feeble
intensity.

Plane I E14.3 BRAG'S X-RAY SPECTROMERER

The schematic arrangement of Bragg's spectrometer is shown in fig. (3). X-ray

Plane I1 from X-ray tube are narrowed to obtain a fine pencil of beam by passing them through
slits S andS2 provided in lead screens. The beam is now allowed to fall on a crystal C
(usually of NaCl with 100 face) mounted on a circular turn table of the spectrometer
Plane lIl -.

Fig.(2)
Rays
Because the refractive index of the matter
of the crystal is
of various atomic planes. no of the rays enterTing or
X-ray
Fromtube T
very nearly equal to unity, hence there is practically bending
as in case of
leaving one crystal. The conditionfor the reflected waves to be all in phase,
integral Slits S3
optics, is that the paths difference between two reflected waves must be an
mulaple of wavclength.
direction AR from
plane 1 and another
lonisation
chamber
A
Consider aray PA reflected at atom A in the
rayQB reflected at another atom B in the direction BS. Now from the atom A, draw two
AC the on
incident ray QB and reflected ray BS respectively.
perpendicular and AD be
Thepath difference between these two rays is (CB + BD).The two retlected rays will
: AnndImon this ath difference. When the path ditterence