CHAPTER

THE GEOMETRY OF CRYSTALS

2-1 Introduction. Turning from the properties of x-rays, we must now consider the geometry and structure of crystals in order to discover what there is about crystals in general that enables them to diffract x-rays. must also consider particular crystals of various kinds and how the very large number of crystals found in nature are classified into a relatively
small

We

number of groups. Finally, we will examine the ways in which the orientation of lines and planes in crystals can be represented in terms of symbols or in graphical form. A crystal may be defined as a solid composed of atoms arranged in a pattern periodic in three dimensions. As such, crystals differ in a fundamental way from gases and liquids because the atomic arrangements in the latter do not possess the essential requirement of periodicity. Not all solids are
however; some are amorphous, like glass, and do not have any There is, in fact, no essential regular interior arrangement of atoms. a liquid, and the former is and solid difference between an amorphous often referred to as an "undercooled liquid."
crystalline,

In thinking about crystals, it is often convenient to igatoms actual nore the, composing the crystal and their periodic arrangement in Space, and to think instead of a set of imaginary points which has
2-2 Lattices.
as a sort of

a fixed relation in space to the atoms of the crystal and may be regarded framework or skeleton on which the actual crystal is built up. This set of points can be formed as follows. Imagine space to be divided

by three
spaced.
size,

This division of space

sets of planes, the planes in each set being parallel and equally will produce a set of cells each identical in

shape, and orientation to its neighbors. Each cell is a parallelepiped, since its opposite faces are parallel and each face is a parallelogram.^ The space-dividing planes will intersect each other in a set of lines (Fig. 2-1), and these lines in turn intersect in the set of points referred to above.

constitutes a point set of points so formed has an important property: so in arranged that each space lattice, which is defined as an array of points "identical surroundings*' we mean By point has identical surroundings.
it

that the lattice of points,

lattice point,

when viewed in a particular direction from one would have exactly the same appearance when viewed in the
any other
lattice point.

same

direction from
one, for

Since all the cells of the lattice

choose any

shown in Fig. 2-1 are identical, we the heavily outlined one, as a unit cell. example
29

may
The

30

THE GEOMETRY OF CRYSTALS

[CHAP. 2

FIG. 2-1.

point lattice.

size

tors* a, b,
of the cell.

and shape of the unit cell can in turn be described by the three vecand c drawn from one corner of the cell taken as origin (Fig. These vectors define the cell and are called the crystallographic axes 2-2).

They may

also be described in terms of their lengths (a,

(a, ft 7).

6, c)

and the angles between them

lattice

These lengths and angles are the

cell.

constants or lattice parameters of the unit

a, b, c define,

Note that the vectors

whole point
lattice

not only the unit

cell,

but also the

through the translations provided by these vectors. whole set of points in the lattice can be produced by the In other words, vectors a, b, c on one lattice point located at the the of action repeated origin, or, stated alternatively, the
vector coordinates of any point in the lattice are Pa, Qb, and /fc, where

P, Q, and R are whole numbers. follows that the arrangement

It

of

points in a point lattice is absolutely periodic in three dimensions, points

being repeated at regular intervals along any line one chooses to draw

through the

lattice.

FIG. 2-2.

unit

cell.

2-3 Crystal systems, (jn dividing space by three sets of planes, we can of course produce unit cells of various shapes, depending on how we arrange the planesT) For example, if the planes in the three sets are all equally
* Vectors are here represented by boldface symbols. stands for the absolute value of the vector.

The same symbol

in italics

2-3]

CRYSTAL SYSTEMS
TABLE 2-1
CRYSTAL SYSTEMS AND BRAVAIS LATTICES

31

(The symbol

implies nonequality by reason of symmetry. Accidental equality may occur, as shown by an example in Sec. 2-4.)

Also called trigonal.

In this case the spaced and mutually perpendicular, the unit cell is cubic. or a = b = c to one and at all c are another, vectors a, b, right angles equal = axial lengths = the = to values thus 90. a and giving special 7 By

we can produce unit cells of various shapes and therefore of point lattices, since the points of the lattice are located at kinds various the cell corners. It turns out that only seven different kinds of cells are necessary to include all the possible point lattices. These correspond to the seven crystal systems into which all crystals can be classified. These
and
angles,

systems are listed in Table 2-1. Seven different point lattices can be obtained simply by putting points at the corners of the unit cells of the seven crystal systems. However, there are other arrangements of points which fulfill the requirements of a
point lattice, namely, that each point have identical surroundings.

The

French crystallographer Bravais worked on this problem and in 1848 demonstrated that there are fourteen possible point lattices and no more; this important result is commemorated by our use of the terms Bravais

32

THE GEOMETRY OF CRYSTALS

[CHAP. 2

SIMPLE CUBIC (P)

BODY-CENTERED
CUBIC
(/)

FACE-C 'ENTERED

CUBIC

(F)

SIMPLE

TETRAGONAL
(P)

BOD Y-( CENTERED TETRAGONAL

(/)

BODY-CENTERED SIMPLE ORTHORHOMBIC ORTHORHOMBIC

(P)
(/)

BASE-CENTERED FACE-CENTERED ORTHORHOMBIC ORTHORHOMBIC

1

RHOMBOHEDRAL
(/?)

(O

(F)

SIMPLE

MONOCLINIC

(P)

BASE-CENTERED MONOCLINIC (C)

1

TRICLINIC

(P)

FIG. 2-3.

The

fourteen Bravais lattices.

lattice

and point

lattice

as

synonymous.

at the center of each

cell of

also forms a point lattice.

For example, if a point is placed a cubic point lattice, the new array of points Similarly, another point lattice can be based

2-3]

CRYSTAL SYSTEMS
cell

33

on a cubic unit
of each face.

having

lattice points at

each corner and in the center

lattices are described in Table 2-1 and illustrated where the symbols P, F, /, etc., have the following meanings. We must first distinguish between simple, or primitive, cells (symbol P or R) and nonprimitive cells (any other symbol): primitive cells have only one lattice point per cell while nonprimitive have more than one. A lattice point in the interior of a cell "belongs" to that cell, while one in a cell face is shared by two cells and one at a corner is shared by eight. The number

The fourteen Bravais

in Fig. 2-3,

of lattice points per cell

is

therefore given

by

N N
t

f --

N
2

N
8

c
,

(2-1 ;

= number of interior points, N/ = number of points on faces, where and N c = number of points on corners. Any cell containing lattice points on the corners only is therefore primitive, while one containing additional points in the interior or on faces is nonprimitive. The symbols F and / refer to face-centered and body-centered cells, respectively, while A, B, and C refer tqjmse-centered cells, centered on one pair of opposite faces A, B, or C. (The A face is the face defined by the b and c axes, etc.) The symbol R is used especially for the rhombohedral system. In Fig. 2-3,
axes of equal length in a particular system are given the same symbol to indicate their equality, e.g., the cubic axes are all marked a, the two equal
tetragonal axes are marked a and the third one c, etc. At first glance, the list of Bravais lattices in Table 2-1 appears incomplete. Why not, for example, a base-centered tetragonal lattice? The
full lines in Fig. 2-4 delineate such a cell, centered on the C face, but we see that the same array of lattice points can be referred to the simple

tetragonal

cell

ment

of points

shown by dashed lines, so that the base-centered arrangeis not a new lattice.

FIG. 2-4.

Relation of tetragonal

lattice (full lines) to tetragonal tice (dashed lines).

iat-

FIG. 2-5. Extension of lattice points through space by the unit cell vectors
a, b, c.

34

THE GEOMETRY OF CRYSTALS

[CHAP. 2

a nonprimitive unit cell can be extended through space by repeated applications of the unit-cell vectors a, b, c just like those of a primitive cell. We may regard the lattice points associated with a
lattice points in

The

unit

cell

as being translated one

alent lattice points in adjacent unit cells are separated

a, b, c,

by one or as a group. In either case, equivby one of the vectors

in the cell (Fig. 2-5).

wherever these points happen to be located

2-4 Symmetry, Both Bravais lattices and the real crystals which are built up on them exhibit various kinds of symmetry. A body or structure
i

is

said to be symmetrical

when

its

component parts are arranged

in

such

balance, so to speak, that certain operations can be performed on the

body

which

will

bring

it

into coincidence with

if

operations.

/For example,

a body

is

itself. These are termed symmetry symmetrical with respect to a plane

passing through it, then reflection of either half of the body in the plane as in a mirror will produce a body coinciding with the other half. Thus a

cub has se ir -ral planes of symmetry, one of which is shown in Fig. 2-6(a). There are in all four macroscopic* symmetry operations or elements: A body has n-fold reflection, rotation, inversion, and rotation-inversion.

symmetry about an axis if a rotation of 360 /n brings it into Thus a cube has a 4-fold rotation axis normal to each a 3-fold axis face, along each body diagonal, and 2-fold axes joining the centers of opposite edgesf Some of these are shown in Fig. 2-6 (b) where
rotational
self-coincidence.

the small plane figures (square, triangle, and ellipse) designate the various

(b)

(ci)

AI beA\ becomes AZ\ 2-fold axis: AI becomes A*, (c) Inversion center. AI becomes A%. (d) Rotation-inversion axis. 4-fold axis: AI becomes A\\ inversion center: A\ becomes A*.
(a)

FIG, 2-6.

Some symmetry elements

Rotation axes.

of a cube,

Reflection plane.
3-fold axis:

comes A%.

(b)

4-fold axis:

A\ becomes

A^

So called to distinguish them from certain microscopic symmetry operations with which we are not concerned here. The macrosopic elements can be deduced from the angles between the faces of a well-developed crystal, without any knowledge of the atom arrangement inside the crystal. The microscopic symmetry elements, on the other hand, depend entirely on atom arrangement, and their presence cannot be inferred from the external development of the crystal.

2-4]

SYMMETRY
In general, rotation axes

35
be
1-, 2-, 3-, 4-,

kinds of axes.

may

or 6-fold.

while a 5-fold axis or one of higher that unit cells having such symsense in the 6 is than impossible, degree fill up space without leaving gaps. to made be cannot metry has an inversion center if corresponding points of the body are
1-fold axis indicates

no symmetry at

all,

body

located at equal distances from the center on a line drawn through the center. body having an inversion center will come into coincidence with itself if every point in the body is inverted, or "reflected," in the cube has such a center at the intersection of its body inversion center.

diagonals [Fig. 2-6(c)].

Finally, a

body may have a rotation-inversion

If it

has an n-fold rotation-inversion with itself by a rotation of 360/n axis, it can be brought into coincidence about the axis followed by inversion in a center lying on the axis. Figure on a cube. 2-6(d) illustrates the operation of a 4-fold rotation-inversion axis minimum set of symmetry elements ^Now, the possession of a certain disis a fundamental property of each crystal system, and one system is as by the from another just as much by its symmetry elements
axis, either 1-, 2-, 3-, 4-, or 6-fold.
;

system

tinguished values of its axial lengths and angles'* In fact, these are interdependent The minimum number of symmetry elements possessed by each crystal Some crystals may possess more than the is listed in Table 2-2.
{

minimum symmetry elements required by the system to which they belong, but none may have less.) Symmetry operations apply not only to the unit cells]shown in Fig. 2-3J
considered merely as geometric shapes, but also to the point lattices associated with them. The latter condition rules out the possibility that the cubic system, for example, could include a base-centered point lattice,
since such an array of points

would not have the minimum

set of

sym-

metry elements required by the cubic system, namely four 3-fold rotation Such a lattice would be classified in the tetragonal system, which axes. has no 3-fold axes and in which accidental equality of the a and c axes is
TABLE 2-2

SYMMETRY ELEMENTS
System

Minimum symmetry elements

Four 3 - fold rotation axes

Cubic
Tetragonal

One 4 -fold

rotation (or rotation - inversion) axis

Orthorhombi c

Three perpendicular 2 -fold rotation (or rotation inversion) axes

Rhombohedral

One 3 -fold
One 6 -fold

rotation (or rotation inversion) axis rotation (or rotation inversion) axis
rotation (or rotation - Inversion) axis

Hexagonal

Monoclinic
Triclinic

One 2 -fold
None

36

THE GEOMETRY OF CRYSTALS

is

[CHAP. 2

allowed; as mentioned before, however, this lattice

simple, not base-

centered, tetragonal. Crystals in the rhombohedral (trigonal) system can be referred to either a rhombohedral or a hexagonal lattice.^ Appendix 2 gives the relation

between these two

either set of axes.

lattices
a.

and the transformation equations which allow

the Miller indices of

plane (see Sec. 2-6) to be expressed in terms of

2-5 Primitive and nonprimitive cells. In any point lattice a unit cell be chosen in an infinite number of ways and may contain one or more lattice points per cell. It is important to note that unit cells do not "exist" as such in a lattice: they are a mental construct and can accordingly be chosen at our convenience. The conventional cells shown in Fig. 2-3 are chosen simply for convenience and to conform to the symmetry elements

may

of the lattice.

Any of the fourteen Bravais lattices may be referred to a primitive unit

cell. For example, the face-centered cubic lattice shown in Fig. 2-7 may

be referred to the primitive cell indicated by dashed lines. The latter cell
is

rhombohedral,

its axial

angle a
is

is

60, and each

of its axes

l/\/2
FIG. 2-7.

times the length of the axes of the cubic cell. Each cubic cell has four
lattice points associated

Face-centered cubic point

lattice referred to cubic

and rhombo-

with

it,

each

hedral

cells.

rhombohedral cell has one, and the former has, correspondingly, four times the volume of the
theless,
it is

latter.

Never-

usually more convenient

to use the cubic

cell

rather than the

rhombohedral one because the former immediately suggests the cubic symmetry which the lattice actually possesses. Similarly, the other centered nonprimitive cells listed in Table 2-1 are preferred to the primitive
cells possible in their respective lattices.

If nonprimitive lattice cells are used, the vector from the origin to any point in the lattice will now have components which are nonintegral multiples of the unit-cell vectors a, b, c. The position of any lattice point in a
cell

may

be given in terms of

its coordinates] if

the vector from the origin

of the unit cell to the given point has components xa, yb, zc, where x, y, and z are fractions, then the coordinates of the point are x y z. Thus, in Fig. 2-7, taken as the origin, has coordinates while points point

000

Bj C, and D, when referred to cubic axes, have coordinates and f f 0, respectively. Point E has coordinates f \ 1 and

Off,
is

equivalent

2-6]

LATTICE DIRECTIONS AND PLANES

37

to point Z), being separated from it by the vector c. The coordinates of equivalent points in different unit cells can always be made identical by the addition or subtraction of a set of integral coordinates; in this case, 1 from subtraction of (the f ^ 1 (the coordinates of E) gives ^ f

coordinates of D). Note that the coordinates of a body-centered point, for example, are always | ^ ^ no matter whether the unit cell is cubic, tetragonal, or ortho-

rhombic, and whatever its size. The coordinates of a point position, such as ^ ^ \, may also be regarded as an operator which, when "applied" to a point at the origin, will move or translate it to the position \ \ \, the
of the operator \ \ \ In this sense, the positions 000, \ \ \ are called the "body-centering translations," since they will produce the
final

position being obtained

original position

by simple addition

and the

000.

two point positions characteristic of a body-centered cell when applied to a point at the origin. Similarly, the four point positions characteristic of a face-centered cell, namely 0, \ ^, \ ^, and \ \ 0, are called the

The base-centering translations depend on face-centering translations. which pair of opposite faces are centered; if centered on the C face, for 0, \ \ 0. example, they are
2-6 Lattice directions and planes. The direction of any line in a lattice may be described by first drawing a line through the origin parallel
of any point on the line pass through the origin of the unit cell and any point having coordinates u v w, where these numbers are not neces(This line will also pass through the points 2u 2v 2w, sarily integral.

to the given through the

line

and then giving the coordinates

Let the
line

origin.

3u 3v 3w,

etc.)

Then

[uvw], written in

of the direction of the line.

They

square brackets, are the indices are also the indices of any line parallel

to the given line, since the lattice is infinite and the origin may be taken at any point. Whatever the values of i/, v, w, they are always converted to a set of smallest integers by multiplication or division throughout: thus,
[233]

[||l], [112], and [224] all represent the same direction, but [112] is the preferred form. Negative indices are
e.g., [uvw].

[100]

[111] [001]

written with a bar over the number, Direction indices are illus-

trated in Fig. 2-8. related Direction^

called directions of

by symmetry are a form, and a set

'[120]

[210]

HO
[100]

of these are|Pepresented of

one of them

by the indices enclosed in angular

Fib/^-8.

bracHts; for example, the four body

Indices of directions.

38

THE GEOMETRY OF CRYSTALS

[CHAP. 2
all

diagonals of a cube, [111], [ill], [TTl], and [Til], by the symbol (111).

may

be represented

may also be represented syma system popularized by the English crystallographer Miller. In the general case, the given plane will be tilted with respect to the crystallographic axes, and, since these axes form a convenient frame
The
orientation of planes in a lattice
bolically, according to

of reference, we might describe the orientation of the plane by giving the actual distances, measured from the origin, at which it intercepts the three axes. Better still, by expressing these distances as fractions of the

axial lengths, we can obtain numbers which are independent of the parBut a difficulty then ticular axial lengths involved in the given lattice.

when the given plane is parallel to a certain crystallographic axis, because such a plane does not intercept that axis, i.e., its "intercept" can only be described as "infinity." To avoid the introduction of infinity into the description of plane orientation, we can use the reciprocal of the fracarises

tional intercept, this reciprocal being zero when the plane and axis are thus arrive at a workable symbolism for the orientation of a parallel.

We

the Miller indices, which are defined as the reciprocals of the fractional intercepts which the plane makes with the crystallographic axes. For example, if the Miller indices of a plane are (AW), written in parentheses, then the plane makes fractional intercepts of I/A, I/A*, \/l with the

plane in

lattice,

the axial lengths are a, 6, c, the plane makes actual intercepts of a/A, b/k, c/l, as shown in Fig. 2-9(a). Parallel to any plane in any latone of which passes tice, there is a whole set of parallel equidistant planes, to that plane in refer through the origin; the Miller indices (hkl) usually
axes, and,
if

the set which

to

any

nearest the origin, although they may be taken as referring other plane in the set or to the whole set taken together.
is

We may
as follows
:

determine the Miller indices of the plane shown

in Fig.

2-9 (b)

1A

2A

3A

4A
(b)

(a)

FIG. 2-9.

Plane designation by Miller indices.

2-6]

LATTICE DIRECTIONS AND PLANES

Axial lengths Intercept lengths Fractional intercepts

39

4A 2A
I 2
I

8A 6A
3

3A 3A
1
1

Miller indices

1
4

16

Miller indices are always cleared of fractions, as shown above. As stated its fractional intercept on that earlier, if a plane is parallel to a given axis, the and axis is taken as infinity corresponding Miller index is zero. If a
is writplane cuts a negative axis, the corresponding index is negative and the are indices whose negatives of one ten with a bar over it. Planes of the sides origin, e.g., (210) and another are parallel and lie on opposite

The planes (nh nk nl) are parallel to the planes (hkl) and have 1/n the spacing. The same plane may belong to two different sets, the Miller
(2lO).

indices of one set being multiples of those of the other; thus the same plane of the belongs to the (210) set and the (420) set, and, in fact, the planes

(210) set form every second plane in the (420) set. jjn the cubic system, it is convenient to remember that a direction [hkl] is always perpendicular true in other to a (hkl) of the same indices, but this is not generally

plane

systems.

Further familiarity with Miller indices can be gained from a

study of Fig. 2-10.

system of plane indexing is used in the hexagonal a hexagonal lattice is defined by two equal and system. third axis c at coplanar vectors ai and a 2 at 120 to one another, and a built up, as usual, by right angles [Fig. 2-11 (a)]. The complete lattice is
slightly different

The

unit

cell of

HfeocH

(110)

(110)

(111)

(102)

FIG. 2-10.

Miller indices of lattice planes.

40

THE GEOMETRY OF CRYSTALS

[001]

[CHAP. 2

(0001)

[Oil]

(1210)

(1100)-

[010]

'

[100]

'[210]

(1011)
(a)

(b)

FIG. 2-11.

(a)

The hexagonal

unit

cell

and

(b) indices of

planes and directions.

EI,

repeated translations of the points at the unit cell corners by the vectors a2 c. Some of the points so generated are shown in the figure, at the
,

ends of dashed lines, in order to exhibit the hexagonal symmetry of the The third axis a 3 lattice, which has a 6-fold rotation axis parallel to c.
,

so symmetrically related to EI and a 2 that it is often used in conjunction with the other two. Thus the indices of a plane in the hexagonal system, called Miller-Bra vais
is

lying in the basal plane of the hexagonal prism,

and are written (hkil). The index i is the reciproon the a 3 axis. Since the intercepts of a a and its on determine ai 2 intercept on a 3 the value of i depends on plane the values of h and k. The relation is
indices, refer to four axes
cal of the fractional iiltercept
,

-i.

(2-2)

Since i is determined by h and A;, it is sometimes replaced by a dot and the plane symbol written (hk-l). However, this usage defeats the purpose for which Miller-Bra vais indices were devised, namely, to give similar
indices to similar planes.

prism

in Fig. 2-1 l(b) are all similar

is

For example, the side planes of the hexagonal and symmetrically located, and their
in their full Miller-Bra vais

relationship

clearly

shown

symbols: (10K)),

(OlTO), (TlOO), (T010), (OTlO), (iTOO). On the other hand, the_abbreviated symbols of these planes, (10-0), (01-0), (11-0), (10-0), (01-0), (11-0) do not immediately suggest this relationship.

Directions in a hexagonal lattice are best expressed in terms of the three

basic vectors ai, a 2 and c. Figure 2-1 l(b) shows several examples of both plane and direction indices. (Another system, involving four indices,
,

sometimes used to designate directions. The required direction is broken up into four component vectors, parallel to ai, a 2 aa, and c and so chosen
is
,

that the third index

is

the negative of the

sum

of the first two.

Thus

2-6]
[100], for

LATTICE DIRECTIONS AND PLANES

41

example, becomes [2110], [210] becomes [1010], [010] becomes

[T210], etc.)

In any crystal system there are sets of equivalent lattice planes related by symmetry. These are called planes of a form, and the indices of any one plane, enclosed in braces )M/}, stand for the whole set. In general,
planes of a form have the same spacing but different Miller indices. For example, the faces of a cube, (100), (010), (TOO), (OTO), (001), and (001), are planes of the form {100}, since all of them may be generated from

any one by operation

faces.

of the 4-fold rotation axes perpendicular to the

cube

In the tetragonal system, however, only the planes (100), (010), (TOO), and (OTO) belong to the form |100); the other two planes, (001) and (OOT), belong to the different form {001) the first four planes men;

tioned are related by a 4-fold axis and the last two by a 2-fold axis.* Planes of a zone are planes which are all parallel to one line, called the
zone axis, and the zone, i.e., the set of planes, is specified by giving the indices of the zone axis. Such planes [001] (11) (210) may have quite different indices and
spacings, the only requirement being
their parallelism
(210)

to a

line.

UOO)

\
,(100)

2-12 shows some examples.

Figure If the

axis of a zone has indices [uvw], then

any plane belongs to that zone whose

indices (hkl) satisfy the relation

hu

kv

Iw

0.

(2-3)

(A proof of this relation is given in Section 4 of Appendix 15.) Any two nonparallel planes are planes of a zone
since they are both parallel to their
line of intersection. If their indices inAll shaded planes in the FIG, 2-12, cubic lattice shown are planes of the

are

(/hfci/i)

and (h^kj^j then the

dices of their zone axis [uvw] are given

zone

[001].

by the

relations

(2-4)

W =
*

/&1/T2

h?jk\.

Certain important crystal planes are often referred to by name without any 111 in the cubic sysof their Miller indices. Thus, planes of the form tem are often called octahedral planes, since these are the bounding planes of an octahedron. In the hexagonal system, the (0001) plane is called the basal plane, planes of the form { 1010) are called prismatic planes, and planes of the form 1011 )

mention

are called pyramidal planes.

42

THE GEOMETRY OF CRYSTALS

[CHAP. 2

(13)

Two-dimensional lattice, showing that lines of lowest indices have FIG. 2-13. the greatest spacing and the greatest density of lattice points.

The

various sets of planes in a lattice have various values of interplanar

planes of large spacing have low indices and pass through a is true of planes of small high density of lattice points, whereas the reverse two-dimensional a for this illustrates lattice, and 2-13 Figure spacing.
spacing.

The

it is

equally true in three dimensions.

is
/>,

ured at right angles to the planes,

and the pends on the

(hkl)

lattice constants (a,

The interplanar spacing rf^./, measa function both of the plane indices The exact relation der, a, 0, 7).

system involved and for the cubic system takes on form the relatively simple
crystal

(Cubic)

d hk

-^-JL===.
:

(2-5)

In the tetragonal system the spacing equation naturally involves both a and c since these are not generally equal
(Tetragonal)

d h ki

=
all

(2-0)

Interplanar spacing equations for

systems are given

in

Appendix

2-7 Crystal structure.

So

far

of mathematical (geometrical)

crystallography

we have discussed topics from the field and have said practically

nothing about actual crystals and the atoms of which they are composed. In fact, all of the above was well known long before the discovery of x-ray
diffraction,
i.e.,

long before there was any certain knowledge of the interior

arrangements of

atoms

in crystals.

It is now time to describe the structure of some actual crystals and to relate this structure to the point lattices, crystal systems, and symmetry

2-7]

CRYSTAL STRUCTURE

43

elements discussed above. The cardinal principle of crystal structure is that the atoms of a crystal are set in

space either on the points of a Bravais lattice or in some fixed relation to those
points.
It follows

from

this th

the

atoms

of a crystal will be arranged periodically in three dimensions and that this arrangement of atoms will

BCC
FIG. 2-14.

FCC
Structures of

some com-

mon

metals.

Body-centered cubic: a-

exhibit

many

of the properties of

a
of

Bravais
its

lattice, in particular

many

Fe, Cr, Mo, V, etc.; face-centered cubic: 7-Fe, Cu, Pb, Ni, etc.

symmetry elements. The simplest crystals one can imagine are those formed by placing atoms of the same kind on the points of a Bravais lattice. Not all such crystals
and
Fig. 2-14 shows two

exist but, fortunately for metallurgists,

simple fashion,

many metals crystallize in this common structures based on the

The

body-centered cubic (BCC) and face-centered cubic (FCC) lattices. former has two atoms per unit cell and the latter four, as we can find by rather than lattice rewriting Eq. (2-1) in terms of the number of atoms, shown. unit cells points, per cell and applying it to the

The next degree of complexity is encountered when two or more atoms of the same kind are "associated with" each point of a Bravais lattice, as structure common to exemplified by the hexagonal close-packed (HCP)

many

This structure is simple hexagonal and is illustrated in metals. are two atoms per unit cell, as shown in (a), one at There 2-15. Fig. and the other at \ | (or at \ f f which is an equivalent position). the same structure with the origin of the unit cell shows 2-15(b)
,

Figure
1

shifted so that the point 1

in the new cell is midway between the atoms atoms shown in (a) corresponding to the nine the in and at (a), \ | The 'association" of pairs of atoms X in with an marked nine atoms (b). of a with the points simple hexagonal Bravais lattice is suggested by the dashed lines in (b). Note, however, that the atoms of a close-packed the surroundhexagonal structure do not themselves form a point lattice, at atom an of those from 3 ^. being different ings of an atom at structure: HCP the of Figure 2-15(c) shows still another representation the three atoms in the interior of the hexagonal prism are directly above
'

the centers of alternate triangles in the base and,

,

if repeated through space a form alsd a would and array just like hexagonal vectors the 2 ai by the atoms in the layers above and below. structure is so called because it is one of the two ways in The which spheres can be packed together in space with the greatest possible

HCP

of density and still have a periodic arrangement. Such an arrangement If these spheres are regarded is shown in Fig. 2-15(d). in contact spheres

44

THE GEOMETRY OF CRYSTALS

(a)

(c)

FIG. 2-15.

The hexagonal

close-packed structure, shared by Zn,

Mg,

He, a-Ti, etc.

as atoms, then the resulting picture of an metal is much closer to physical reality than is the relatively open structure suggested by the drawing of Fig. 2-15(c), and this is true, generally, of all crystals. On the other hand, it may be shown that the ratio of c to a in an structure formed of spheres in contact is 1 .633 whereas the c/a ratio of metals having this structure varies from about 1.58 (Be) to 1.89 (Cd). As there is no reason to suppose that the atoms in these crystals are not in contact, it 'follows that they must be in rather

HCP

HCP

arranged in a hexagonal pattern just like the atoms on the (0002) planes of the HCP structure. The only difference between the two structures is the way in which these hexagonal sheets of atoms are arranged above one another. In an HCP metal, the atoms in the second layer are above the hollows in

ellipsoidal than spherical. shape an equally close-packed arrangement. Its relation to the HCP structure is not immediately obvious, but Fig. 2-16 shows that the atoms on the (111) planes of the FCC structure are

The

FCC

structure

is

2-7]

CRYSTAL STRUCTURE
i

45

HID

[001]

HEXAGONAL CLOSE-PACKED

FIG. 2-16.

Comparison

of

FCC

and

HCP

structures.

46

THE GEOMETRY OF CRYSTALS

[CHAP. 2

j;

HH
FIG. 2-17.

The structure of a-uranium.

(C.

W. Jacob and

B. E. Warren, J.A.C.S

59, 2588, 1937.')

the
first

first

layer

and the atoms

. . . .

layer, so that the layer stacking

A BA BA B
in the

of

The first same way, but the atoms of the third layer are placed in the hollows the second layer and not until the fourth layer does a position repeat.

above the atoms in the sequence can be summarized as two atom layers of an FCC metal are put down
in the third layer are

... These stackstacking therefore has the sequence A B C are in indicated the shown in views 2-1 schemes (>. ing plan Fig. Another example of the "association" of more than one atom with each point of a Bravais lattice is given by uranium. The structure of the form stable at room temperature, a-uranium, is illustrated in Fig. 2-17 by plan and elevation drawings. In such drawings, the height of an atom (expressed as a fraction of the axial length) above the plane of the drawing (which includes the origin of the unit cell and two of the cell axes) is given by the numbers marked on each atom. The Bravais lattice is base-centered orthorhombic, centered on the C face, and Fig. 2-17 shows how the atoms

FCC

ABC

occur in pairs through the structure, each pair associated with a lattice There are four atoms per unit cell, located at Or/-}, point. yf "~ Here we have an example of a variable y} T> and i (2 y) T \ (\
,

in the atomic coordinates. Crystals often contain such variable parameters, which may have any fractional value without destroying any of the symmetry elements of the structure. A quite different sub-

parameter y

different values of a,

stance might have exactly the same structure as uranium except for slightly For uranium y is 0.105 0.005. 6, c, and y.
that the structure

Turning to the crystal structure of compounds of unlike atoms, we find is built up on the skeleton of a Bravais lattice but that

certain other rules must be obeyed, precisely because there are unlike atoms present. Consider, for example, a crystal of Ax E y which might be an ordinary chemical compound, an intermediate phase of relatively fixed composition in some alloy system, or an ordered solid solution. Then the arrangement of atoms in A x E y must satisfy the following conditions:

2-7]

CRYSTAL STRUCTURE

47

CB+

[010]

(a)

CsCl

(b)

NaCl

The structures of (a) CsCl (common to CsBr, NiAl, ordered /3-brass, FIG. 2-18. ordered CuPd, etc.) and (b) NaCl (common to KC1, CaSe, Pbf e, etc.).
(1) Body-, face-, or base-centering translations, if present, must begin and end on atoms of the same kind. For example, if the structure is based on a body-centered Bravais lattice, then it must be possible to go from an A atom, say, to another A atom by the translation ^ ^ f (2) The set of A atoms in the crystal and the set of B atoms must separately possess the same symmetry elements as the crystal as a whole,
.

make up the crystal. In particular, the operation of element any symmetry present must bring a given atom, A for example, into coincidence with another atom of the same kind, namely A. Suppose we consider the structures of a few common crystals in light
since in fact they

above requirements. Figure 2-18 illustrates the unit cells of two compounds, CsCl and NaCl. These structures, both cubic, are common to many other crystals and, wherever they occur, are referred to as " In considering a crystal the "CsCl structure" and the "NaCl structure. is its Bravais determine one of most to the structure, important things is which the the on since that basic framework crystal is built and lattice, the x-ray diffracwe see it a effect on as shall has later, profound because,
of the

ionic

tion pattern of that crystal.

What

is

the Bravais lattice of CsCl?

Figure 2-1 8 (a) shows that the

unit cell contains two atoms, ions really, since this compound is comand a chlopletely ionized even in the solid state: a caesium ion at

not face-centered, but we note that the body-centering translation \ \ \ connects two atoms. However, these are unlike atoms and the lattice is therefore not bodyrine ion at

^ \ \

The Bravais

lattice is obviously

48

THE GEOMETRY OF CRYSTALS

[CHAP. 2

If one wishes, one may It is, by elimination, simple cubic. centered. and the chlorine at \ \ ^, as bethink of both ions, the caesium at 0. It is not possible, however, ing associated with the lattice point at with caesium ion to associate any one any particular chlorine ion and re-

fer to

them

as a

physical significance in such a crystal, and the

CsCl molecule; the term "molecule" therefore has no real same is true of most inor-

ganic compounds and alloys. Close inspection of Fig. 2-18(b) will

contains 8 ions, located as follows:

show that the unit

cell of

NaCl

Na +

at

0,

\ \

0,

\ \

|,
0,

and

\ \

4 Cl~ at

\\\,

\,

and ^00.

The sodium
ion at

ions are clearly face-centered,

0,

and we note that the face-center-

ing translations (0

\\\,
may

will
is

\, \ ^), when applied to the chlorine \ \ 0, \ The Bravais all the chlorine-ion positions. reproduce

lattice of

NaCl

therefore face-centered cubic.

in

The

ion positions, inci-

dentally,

be written 4

summary form

as:

Na 4

"

at

+ +

face-centering translations
face-centering translations.

4 Cl~ at \ \ \

Note

also that in these, as in all other structures, the operation of

any

symmetry element possessed by the lattice must bring similar atoms or For example, in Fig. 2-18(b), 90 rotation about ions into coincidence.
the 4-fold [010] rotation axis shown brings the chlorine ion at coincidence with the chlorine ion at ^11, the sodium ion at
the sodium ion at
1

1 1

\ into with

1 1, etc.

Elements and compounds often have closely similar structures. 2-19 shows the unit cells of diamond and the zinc-blende form Both are face-centered cubic. Diamond has 8 atoms per unit
cated at

Figure
of ZnS.
cell,

lo-

000 +
1 i I

face-centering translations
face-centering translations.
first

The atom

positions in zinc blende are identical with these, but the

set of positions

is now occupied by one kind of atom (S) and the other by a different kind (Zn). Note that diamond and a metal like copper have quite dissimilar structures, although both are based on a face-centered cubic Bravais lattice.

To

distinguish between these two, the terms

"diamond cubic" and

"face-

centered cubic'' are usually used.

2-7]

CRYSTAL STRUCTURE

51

Fe

position

<

(a)

(b)

FIG. 2-21.

Structure of solid solutions: (a)

Mo

in

Cr

(substitutional)

(b)

in

a-Fe

(interstitial).

on the
tures
is

lattice of the solvent, while in the latter, solute

atoms

fit

into the

interstices of the solvent lattice.

that the solute atoms

interesting feature of these strucare distributed more or less at random. For

The

example, consider a 10 atomic percent solution of molybdenum in chromium, which has a BCC structure. The molybdenum atoms can occupy
either the corner or body-centered positions of the cube in a

regular manner, and a small portion

of the crystal

random, irhave the appearmight

ance of Fig. 2-21 (a). Five adjoining unit cells are shown there, containing a total of 29 atoms, 3 of which are molybdenum. This section of the crystal therefore contains somewhat more than 10 atomic percent molybdenum, but the next five cells would probably contain somewhat less.

Such a structure does not obey the ordinary

rules of crystallography:

for example, the right-hand cell of the group shown does not have cubic symmetry, and one finds throughout the structure that the translation

given by one of the unit cell vectors may begin on an atom of one kind and end on an atom of another kind. All that can be said of this structure is that it is BCC on the average, and experimentally we find that it displays
the x-ray diffraction effects proper to a BCC lattice. This is not surprising since the x-ray beam used to examine the crystal is so large compared to the size of a unit cell that it observes, so to speak, millions of unit cells
at the

same time and so obtains only an average "picture" of the structure. The above remarks apply equally well to interstitial solid solutions. These form whenever the solute atom is small enough to fit into the sol-

vent lattice without causing too much distortion. Ferrite, the solid solution of carbon in a-iron, is a good example. In the unit cell shown in 2-21 there are two of in kinds the lattice: one at | "holes" Fig. (b),

(marked ) and equivalent positions in the centers of the cube faces and edges, and one at J ^ (marked x) and equivalent positions. All the evidence at hand points to the fact that the carbon atoms in ferrite are located in the holes at f f and equivalent positions. On the average, 1 of these positions in 500 unit cells is occuno more than about however,

2-8]

ATOM

SIZES

AND COORDINATION

53

the distance of closest approach in the three

common

metal structures:

BCC =
2

'

V2
a
>

(2-7)

HCP

a a2
2

(l)etwcen

atoms

in basal plane),

(between atom

in basal

plane

\ 3

and neighbors above or below).

Values of the distance of closest approach, together with the crystal structures and lattice parameters of the elements, are tabulated in Appendix 13.

To a first approximation, the size of an atom is a constant. In other words, an iron atom has the same size whether it occurs in pure iron, an This is a very useful fact to reintermediate phase, or a solid solution
member when
investigating unknown crystal structures, for it enables us to predict roughly how large a hole is necessary in a proposed structure to
it,

is known that the size of accommodate a given atom. More precisely, an atom has a slight dependence on its coordination number, which is the number of nearest neighbors of the given atom arid which depends on The coordination number of an atom in the FCC or crystal structure. HCP structures is 12, in BCC 8, and in diamond cubic 4. The smaller the coordination number, the smaller the volume occupied by a given atom, and the amount of contraction to be expected with decrease in coordination number is found to be:

Change

in coordination

Size contraction, percent

8 12 -> 6
12
12 -> 4

3 4 12

the iron
a-iron.

This means, for example, that the diameter of an iron atom is greater if is dissolved in FCC copper than if it exists in a crystal of BCC
If it

were dissolved

in copper, its

diameter would be approximately

its

2.48/0.97, or 2.56A.

The

size of

an atom

in

a crystal also depends on whether

binding

is

ionic, covalent, metallic, or van der Waals, and on its state of ionization. The more electrons are removed from a neutral atom the smaller it be-

comes, as shown strikingly for iron, whose atoms and ions Fe, "" Fe" 4 have diameters of 2.48, 1.66, and L34A, respectively.
" 1 1

54

THE GEOMETRY OF CRYSTALS

2-9 Crystal shape.

[CHAP. 2

We

have said nothing so

far

about the shape of

on their interior structure. crystals, preferring to concentrate instead the to of the perhaps their most charlayman, is, crystals shape However,

and nearly everyone is familiar with the beautifully exhibited by natural minerals or crystals artificially developed a from supersaturated salt solution. In fact, it was with a study grown of these faces and the angles between them that the science of crystallogacteristic property,
flat faces

raphy began.
Nevertheless, the shape of crystals
since
it

is

really a secondary characteristic,

depends on, and is a consequence of, the interior arrangement of atoms. Sometimes the external shape of a crystal is rather obviously re-

lated to its smallest building block, the unit cell, as in the little cubical or the six-sided grains of ordinary table salt (NaCl has a cubic lattice)

In many other prisms of natural quartz crystals (hexagonal lattice). different have its unit cell and the shapes; quite crystal cases, however, are octanatural but cubic has a for crystals gold lattice, example, gold, hedral in form, i.e., bounded by eight planes of the form {111}.

important fact about crystal faces was known long before there was any knowledge of crystal interiors. It is expressed as the law of rational faces indices, which states that the indices of naturally developed crystal 4. or 3 whole are always composed of small numbers, rarely exceeding but observed are 210 iTOO 111 etc., Thus, faces of the form 100 not such faces as (510}, {719}, etc. We know today that planes of low indices have the largest density of lattice points, and it is a law of crystal

An

} ,

} ,

) ,

) ,

indices growth that such planes develop at the expense of planes with high and few lattice points. To a metallurgist, however, crystals with well-developed faces are in the category of things heard of but rarely seen. They occur occasionally on the free surface of castings, in some electrodeposits, or under other

conditions of no external constraint.

To

a metallurgist, a crystal

is

most

of many usually a "grain," seen through a microscope in the company an isolated If has he other grains on a polished section. single crystal, it thus have the and the will have been artificially grown either from melt, shape of the crucible in which it solidified, or by recrystallization, and

thus have the shape of the starting material, whether sheet, rod, or wire. The shapes of the grains in a polycrystalline mass of metal are the result of several kinds of forces, all of which are strong enough to counteract the natural tendency of each grain to grow with well-developed flat
faces.

The

result

is

a grain roughly polygonal in shape with no obvious

aspect of crystallinity. Nevertheless, that grain is a crystal and just as "crystalline" as, for example, a well-developed prism of natural quartz,
since the essence of crystallinity

ment and not any

regularity of

a periodicity of inner atomic arrangeoutward form.

is

2-10]

TWINNED CRYSTALS
crystals.

55

related to one another.

Some crystals have two parts symmetrically These, called twinned crystals, are fairly common both in minerals and in metals and alloys. The relationship between the two parts of a twinned crystal is described
2-10 Twinned

by the symmetry operation which

will bring

one part into coincidence

with the other or with an extension of the other.

Two main

kinds of

twinning are distinguished, depending on whether the symmetry operation is (a) 180 rotation about an axis, called the twin axis, or (6) reflection across a plane, called the twin plane. The plane on which the two
parts of a twinned crystal are united is called the composition plane. In the case of a reflection twin, the composition plane may or may not coindeal mainly with FCC, BCC, and structures, are the following kinds of twins: metals and alloys (Cu, Ni, (1) Annealing twins, such as occur in a-brass, Al, etc.), which have been cold-worked and then annealed to
cide with the twin plane. Of most interest to metallurgists,

who

HCP

FCC

cause recrystallization.

Deformation twins, such as occur in deformed HCP metals (Zn, Mg, Be, etc.) and BCC metals (a-Fe, W, etc.). Annealing twins in FCC metals are rotation twins, in which the two parts are related by a 180 rotation about a twin axis of the form (111).
(2)

Because of the high symmetry of the cubic lattice, this orientation relationship is also given by a 60 rotation about the twin axis or by reflection across the 111 plane normal to the twin axis. In other words, FCC
{
j

annealing twins may also be classified as reflection twins. The twin plane is also the composition plane. Occasionally, annealing twins appear under the microscope as in Fig.

2-22 (a), with one part of a grain (E) twinned with respect to the other part (A). The two parts are in contact on the composition plane (111)

which makes a
however,
is

the kind

straight-line trace on the plane of polish. More common, shown in Fig. 2-22 (b). The grain shown consists of

three parts: two parts (Ai and A 2 ) of identical orientation separated by a B is known as third part (B) which is twinned with respect to A\ and A 2
.

a twin band.

(a)

FIG. 2-22.

Twinned

grains: (a)

and

(b)

FCC

annealing twins;

(c)

HCP

defor-

mation twin.

56

THE GEOMETRY OF CRYSTALS

[CHAP. 2

PLAN OF CRYSTAL

PLAN OF TWIN

FIG. 2-23.

Twin band

in

FCC

lattice.

Plane of main drawing

is

(110).

2-10]

TWINNED CRYSTALS

59

twinning
shear

[211]

(1012)

twin plane

PLAN OF CRYSTAL
FIG. 2-24.

PLAN OF TWIN
Plane of main drawing
is

Twin band

in

HCP

lattice.

(1210).

60

THE GEOMETRY OF CRYSTALS

[CHAP. 2

are said to be first-order, second-order, etc., twins of the parent crystal A. Not all these orientations are new. In Fig. 2-22 (b), for example, B may

be regarded as the first-order twin of AI, and A 2 as the first order twin of B. -4-2 is therefore the second-order twin of AI but has the same orientation as

i.

2-11 The stereographic projection. Crystal drawings made in perspecform of plan and elevation, while they have their uses, are not suitable for displaying the angular relationship between lattice planes
tive or in the

and

directions.

relationships than in kind of drawing on

But frequently we are more interested in these angular any other aspect of the crystal, and we then need a
which the angles between planes can be accurately will permit graphical solution of problems involving

measured and which

such angles.

The stereographic projection fills this need. The orientation of any plane in a crystal can be just as well represented by the inclination of the normal to that plane relative to some reference plane as by the inclination of the plane itself. All the planes in a crystal can thus be represented by a set of plane normals radiating from some one If a reference sphere is now described about point within the crystal.
this point, the plane normals will intersect the surface of the sphere in a set of points called poles. This procedure is illustrated in Fig. 2-25, which The pole of a plane is restricted to the {100} planes of a cubic crystal.

position on the sphere, the orientation of that plane. be represented by the trace the extended plane makes also plane may in the surface of the sphere, as illustrated in Fig. 2-26, where the trace
represents,

by

its

ABCDA
sphere in

i.e., a circle of of the sphere.

represents the plane whose pole is PI. This trace is a great circle, maximum diameter, if the plane passes through the center plane not passing through the center will intersect the

a small

circle.

On

a ruled globe, for example, the longitude

lines

100

010

100

M
poles of a cubic

FIG. 2-25.
crystal.

{1001

FIG. 2-26. Angle between

two

planes.

2-1 1J

THE 8TEREOGRAPHIC PROJECTION

61

(meridians) are great circles, while the latitude lines, except the equator, are small circles.

The angle a between two

planes

is

evidently equal to the angle between

their great circles or to the angle between their normals (Fig. 2-26). But this angle, in degrees, can also be measured on the surface of the sphere
circle connecting the poles PI and 2 of the two planes, if this circle has been divided into 360 equal parts. The measurement of an angle has thus been transferred from the planes themselves

along the great

KLMNK

to the surface of the reference sphere. Preferring, however, to measure angles on a flat sheet of paper rather than on the surface of a sphere, we find ourselves in the position of the

projection plane

basic circle

reference

sphere

\
point of projection

observer

4
SECTION THROUGH AB AND PC

FIG. 2-27.

The

stereographic projection.

62
geographer

THE GEOMETRY OF CRYSTALS

[CHAP. 2

who wants
atlas.

to transfer a

map

of the

page
will

of

an

Of the many known kinds

of projections,

world from a globe to a he usually

chooses a more or less equal-area projection so that countries of equal area be represented by equal areas on the map. In crystallography, how-

ever,

we

prefer the equiangular stereographic projection since

it

preserves

angular relationships faithfully although distorting areas. It is made by placing a plane of projection normal to the end of any chosen diameter
of the sphere

and using the other end

of that diameter as the point of

projection. In Fig. 2-27 the projection plane is normal to the diameter AB, and the projection is made from the point B. If a plane has its pole at P, then the stereographic projection of P is at P', obtained by draw-

and producing it until it meets the projection plane. Aling the line is the shadow ternately stated, the stereographic projection of the pole on the projection plane when a light source is placed at B. The cast by

BP

observer, incidentally, views the projection from the side opposite the
light source.

The plane
circle.

NESW
all

is

normal to

It therefore cuts the sphere in half

This great

circle

and passes through the center C. and its trace in the sphere is a great projects to form the basic circk N'E'S'W on the

AB

poles on the left-hand hemisphere will project within Poles on the right-hand hemisphere will project outside this basic circle. this basic circle, and those near B will have projections lying at very large distances from the center. If we wish to plot such poles, we move the
projection,

and

point of projection to A and the projection plane to B and distinguish the new set of points so formed by minus signs, the previous set (projected from B) being marked with plus signs. Note that movement of the projection plane along

AB

we usually make it tangent to the make it pass through the center of

or its extension merely alters the magnification; sphere, as illustrated, but we can also

the sphere, for example, in which case the basic circle becomes identical with the great circle NESW. A lattice plane in a crystal is several steps removed from its stereographic projection, and these steps:
(1) (2)
it

may

be worth-while at this stage to summarize

The plane C is represented by its normal CP. The normal CP is represented by its pole P, which

is its

intersec-

tion with the reference sphere.

(3) The pole P is represented by its stereographic projection P'. After gaining some familiarity with the stereographic projection, the student will be able mentally to omit these intermediate steps and he will

then refer to the projected point P' as the pole of the plane

or,

even

directly, as the plane C itself. Great circles on the reference sphere project as circular arcs on the proand B (Fig. 2-28), as straight jection or, if they pass through the points

more

2-11]
lines

THE STEREOGRAPHIC PROJECTION

63

through the center of the projection. Projected great circles always cut the basic circle in diametrically opposite points, since the locus of a great circle on the sphere is a set of diametrically opposite points. Thus the great circle in Fig. 2-28 projects as the straight line N'S' and as WE'\ the great circle NGSH, which is inclined to the plane of

ANBS

AWBE
is

projection, projects as the circle arc N'G'S'.

WAE'

If the half great circle divided into 18 equal parts and these points of division projected on we obtain a graduated scale, at 10 intervals, on the equator of
,

WAE

the basic

circle.

FIG. 2-28.

Stereographic projection of great and small

circles.

64

THE GEOMETRY OP CRYSTALS

[CHAP. 2

FIG. 2-29.

Wulff net drawn to 2 intervals.

Small circles on the sphere also project as circles, but their projected center does not coincide with their center on the projection. For example,
the circle

AJEK

whose center
is

lies

on

AWBE projects as AJ'E'K'.

A
and
an equal number

Its
',

center on the projection

at C, located at equal distances from at P', located

but

its projected center is

of degrees (45

in this case)

from

and

E'.

device most useful in solving problems involving the stereographic projection is the Wulff net shown in Fig. 2-29. It is the projection of a

The

sphere ruled with parallels of latitude and longitude on a plane parallel to the north-south axis of the sphere. The latitude lines on a Wulff net
are small circles extending from side to side and the longitude lines (meridians) are great circles connecting the north and south poles of the net.

2-11]

THE STEREOGRAPHIC PROJECTION

65

PROJECTION
Wulff net

FIG. 2-30.
of angle

Stereographie projection superimposed on Wulff net for measurement

poles.

between

These nets are available in various sizes, one of 18-cm diameter giving an accuracy of about one degree, which is satisfactory for most problems; to obtain greater precision, either a larger net or mathematical calculation must be used. Wulff nets are used by making the stereographic projection on tracing paper and with the basic circle of the same diameter as that of the Wulff net; the projection is then superimposed on the Wulff net and pinned at the center so that it is free to rotate with respect to the
net.

To return to our problem of the measurement of the angle between two crystal planes, we saw in Fig. 2-26 that this angle could be measured on the surface of the sphere along the great circle connecting the poles of the two planes. This measurement can also be carried out on the stereographic projection if, and only if, the projected poles lie on a great circle. In Fig. 2-30, for example, the angle between the planes* A and B or C and D can be measured directly, simply by counting the number of degrees separating them along the great circle on which they lie. Note that the angle C-D equals the angle E-F, there being the same difference in latitude between C and D as between E and F. If the two poles do not lie on a great circle, then the projection is rotated relative to the Wulff net until they do lie on a great circle, where the de*

We are

here using the abbreviated terminology referred to above.

66

PROJECTION

(a)

FIG. 2-31. (a) Stereographic projection of poles Pi and P 2 of Fig. 2-26. (b)

Rotation of projection to put poles on same great circle of Wulff = 30. net. Angle between poles

(b)

2-11]

THE STEREOGRAPHIC PROJECTION

67

sired angle measurement can then be made. Figure 2-31 (a) is a projection of the two poles PI and 2 shown in perspective in Fig. 2-26, and the

angle between them is found by the rotation illustrated in Fig. 2-3 l(b). This rotation of the projection is equivalent to rotation of the poles on latitude circles of a sphere whose north-south axis is perpendicular to the
projection plane.

As shown in Fig. 2-26, a plane may be represented by its trace in the reference sphere. This trace becomes a great circle in the stereographic projection. Since every point on this great circle is 90 from the pole of the plane, the great circle may be found by rotating the projection until
falls on the equator 'of the underlying Wulff net and tracing that meridian which cuts the equator 90 from the pole, as illustrated in Fig. 2-32. If this is done for two poles, as in Fig. 2-33, the angle between the

the pole

corresponding planes may also be found from the angle of intersection of the two great circles corresponding to these poles; it is in this sense that the stereographic projection is said to be angle-true. This method of angle

measurement

is

not as accurate, however, as that shpwn in Fig. 2-3 l(b).

FIG. 2-32.

Method

of finding the trace of a pole (the pole

P2

'

in Fig. 2-31).

68

THE GEOMETRY OF CRYSTALS PROJECTION

[CHAP. 2

FIG. 2-33. Measurement of an angle between two poles (Pi and by measurement of the angle of intersection of the corresponding

2 of Fig. 2-26) traces.

PROJECTION

FIG. 2-34.

Rotation of poles about

NS axis

of projection.

2-11]

THE STEREOGRAPHIC PROJECTION

69

We often wish to rotate poles around various axes. We have already seen that rotation about an axis normal to the projection is accomplished simply by rotation of the projection around the center of the Wulff net.
Rotation about an axis lying in the plane of the projection is performed by, first, rotating the axis about the center of the Wulff net until it coinif it does not already do so, and, second, involved the along their respective latitude circles the repoles moving of number degrees. Suppose it is required to rotate the poles A\ quired

cides with the north-south axis

and BI shown in tion being from

Fig.

its latitude circle

2-34 by 60 about the NS axis, the direction of moto E on the projection. Then AI moves to A 2 along as shown. #1, however, can rotate only 40 before

move finding itself at the edge of the projection; we must then imagine it to 20 in from the edge to the point B[ on the other side of the projection,
staying always on its own latitude circle. on the positive side of the projection is at

The

final position of this

pole

B2

diametrically opposite B\.

Rotation about an axis inclined to the plane of projection is accomplished by compounding rotations about axes lying in and perpendicular to the into projection plane. In this case, the given axis must first be rotated
tion performed,

coincidence with one or the other of the two latter axes, the given rotaand the axis then rotated back to its original position.

Any movement
of all

of the given axis must be accompanied by a similar movethe ment poles on the projection. For example, we may be required to rotate AI about BI by 40 in a clockwise direction (Fig. 2-35). In (a) the pole to be rotated A } and the

rotation axis BI are

shown

in their initial position.

In (b) the projection

has been rotated to bring BI to the equator of a Wulff net. A rotation of 48 about the NS axis of the net brings BI to the point B 2 at the center of the net; at the same time AI must go to A 2 along a parallel of latitude.

The
on

rotation axis

is

now

required rotation of 40

perpendicular to the projection plane, and the brings A 2 to A 3 along a circular path centered

operations which brought BI to B 2 must now be reversed in order to return B 2 to its original position. Accordingly, B 2 is brought to of the net. JBs and A% to A*, by a 48 reverse rotation about the NS axis

B2

The

In

(c)

tion lines

the projection has been rotated back to its initial position, construchave been omitted, and only the initial and final positions of the

rotated pole are shown. During its rotation about B^ AI moves along the small circle shown. This circle is centered at C on the projection and not at its projected center BI. To find C we use the fact that all points

on the circle must lie at equal angular distances from BI] in this case, measurement on a Wulff net shows that both AI and A are 76 from B\. Accordingly, we locate any other point, such as D, which is 76 from B\,

and knowing three points on the required

circle,

we can

locate its center C.

70

THE GEOMETRY OP CRYSTALS

[CHAP. 2

40

48

(b)

(a)

(c)

FIG. 2-35.

Rotation of a pole about an inclined

axis.

2-11]

THE 8TEREOGRAPHIC PROJECTION

71

In dealing with problems of crystal orientation a standard projection is it shows at a glance the relative orientation of Such a projection is made by seall the important planes in the crystal. of low indices as the plane of prosome plane crystal important lecting and projecting the poles of or (0001)] (111), (110), (100), jection [e.g., The construction of a various crystal planes onto the selected plane.
of very great value, since

standard projection of a crystal requires a knowledge of the interplanar angles for all the principal planes of the crystal. A set of values applicable to all crystals in the cubic system is given in Table 2-3, but those for axial ratios involved crystals of other systems depend on the particular

and must be calculated

for each case by the equations given in Appendix 1. time can be saved in making standard projections by making use of the zonal relation: the normals to all planes belonging to one zone are the poles coplanar and at right angles to the zone axis. Consequently, of planes of a zone will all lie on the same great circle on the projection,

Much

and the

from this great circle. Furthermore, than one zone and their poles more to important planes usually belong are therefore located at the intersection of zone circles. It is also helpful to remember that important directions, which in the cubic system are
axis of the zone will be at 90

normal to planes of the same

zones.

indices, are usually the axes of

important

on Figure 2-36 (a) shows the principal poles of a cubic crystal projected the (001) plane of the crystal or, in other words, a standard (001) projecThe location of the {100} cube poles follows immediately from Fig. tion. 2-25. To locate the {110} poles we first note from Table 2-3 that they must lie at 45 from {100} poles, which are themselves 90 apart. In

100

100

no

110
111

1)10

Oil

no

no

FIG. 2-36.

Standard projections of cubic

crystals, (a)

on

(001)

and

(b)

on

(Oil).

72

THE GEOMETRY OF CRYSTALS

TABLE 2-3

[CHAP. 2

INTERPLANAR ANGLES (IN DEGREES) IN CUBIC CRYSTALS BETWEEN PLANES OF THE FORM \hik\li\ AND

off to

Largely from R. M. Bozorth, Phys. Rev. 26, 390 (1925); rounded the nearest 0.1.

2-11]

THE STEREOGRAPHIC PROJECTION

73

[112]

zone

mi]
1110]

[001]

zone
[100]

//

zone

FIG. 2-37.
Metals,

Standard (001) projection of a cubic

S. Barrett,

crystal.

(From

Structure of

by C.

McGraw-Hill Book Company,

Inc., 1952.)

this

way we

and

(010) and at 45
find the
{

locate (Oil), for example, on the great circle joining (001) from each. After all the {110} poles are plotted,

we can

111

poles at the intersection of zone circles.

Inspection

of a crystal

(2-3) will

model or drawing or use of the zone relation given by JEq. show that (111), for example, belongs to both the zone [101]
[Oil].

and the zone

The

pole of (111)

is

thus located at the intersection

through (OlO), (101), and (010) and the zone circle through (TOO), (Oil), and (100). This location may be checked by measurement of its angular distance from (010) or (100), which should be 54.7. The (Oil) standard projection shown in Fig. 2-36(b) is plotted in the same manner. Alternately, it may be constructed by rotating all the poles in the (001) projection 45 to the left about the NS axis of the proIn jection, since this operation will bring the (Oil) pole to the center.
of the zone circle

both of these projections symmetry symbols have been given each pole with Fig. 2-6(b), and it will be noted that the projection itself has the symmetry of the axis perpendicular to its plane, Figs. 2-36(a)
in conformity

and

(b)

having 4-fold and 2-fold symmetry, respectively.

74

THE GEOMETRY OF CRYSTALS

[CHAP. 2

Jl20

T530,

0113.

53TO

1321

foil

320

no.

ioTs

FIG. 2-38.

Standard (0001) projection for zinc (hexagonal, c/a

1.86).

(From

Structure of Metals,

by C. S. Barrett, McGraw-Hill

Book Company,

Inc., 1952.)

Figure 2-37
siderably

is

more

detail

a standard (001) projection of a cubic crystal with conand a few important zones indicated. A standard

(0001) projection of a hexagonal crystal (zinc) is given in Fig. 2-38. It is sometimes necessary to determine the Miller indices of a given
in Fig. 2-39(a), which on a crystal projection, for example the pole applies to a cubic crystal. If a detailed standard projection is available,

pole

the projection with the unknown pole can be superimposed on it and its indices will be disclosed by its coincidence with one of the known poles

on the standard. Alternatively, the method illustrated in Fig. 2-39 may be used. The pole A defines a direction in space, normal to the plane (hkl) whose indices are required, and this direction makes angles p, <r, r with the coordinate axes a, b, c. These angles are measured on the projection as shown in (a). Let the perpendicular distance between the origin and the (hkl) plane nearest the origin be d [Fig. 2-39(b)], and let the direction cosines of the line A be p, g, r. Therefore
d

d
cos a

d
cos r

cosp
o/fc'

bjk

2-11]

THE STEREOGRAPHIC PROJECTION

75

100
(a)

(b)

FIG. 2-39.

Determination of the Miller indices of a

pole.

h:k:l

pa:qb:rc.

(2-8)

For the cubic system we have the simple result that the Miller indices required are in the same ratio as the direction cosines. The lattice reorientation caused by twinning can be clearly shown on the stereographic projection. In Fig. 2-40 the open symbols are the 100} If this crystal is poles of a cubic crystal projected on the (OOl)jplane. is (111), represented on the twin of its one then planes possible FCC, The cube poles of the twin projection both by its pole and its trace. formed by reflection in this plane are shown as solid symbols; these poles are located by rotating the projection on a Wulff net until the pole of the twin plane lies on the equator, after which the cube poles of the crystal
{

can be moved along latitude

circles of

the net to their final position.

The main
sented,

and

been preprinciples of the stereographic projection have now we will have occasion to use them later in dealing with various
100

problems in x-ray metallography. The student is reminded, however, that a mere reading of this section is not sufficient preparation for such problems. In order to gain
practical

with the stereographic he must practice, with projection, Wulff net and tracing paper, the operations described above and solve problems of the kind given below. Only in this way will he be able to
real familiarity

010

010

manipulate the stereographic projection with facility and think in three dimensions of what is
read
represented in two.
of

and

(111)

twin plane

100

FIG. 2-40.

Stereographic projection

an

FCC

crystal

and

its

twin.

76

THE GEOMETRY OP CRYSTALS

PROBLEMS

[CHAP. 2

2-1.

Draw

the following planes and directions in a tetragonal unit

cell: (001),

(Oil), (113), [110], [201], [I01]._ 2-2. Show by means of a (110) sectional

(111) in the cubic system,

drawing that [111] is perpendicular to but not, in general, in the tetragonal system. 2-3. In a drawing of a hexagonal prism, indicate the following planes and di-

rections: (1210), (1012), (T011), [110], [111), [021]. 2-4. Derive Eq. (2-2) of the text.

that the planes (110), (121), and (312) belong to the zone [111]^ the following planes all belong to the same zone: (110), (311), (132)? If so, what is the zone axis? Give the indices of any other plane belonging to this zone. structure which will show that 2-7. Prepare a cross-sectional drawing of an
2-5.
2-6.

Show

Do

HCP

all

atoms do not have

identical surroundings

and therefore do not

lie

on a point

lattice.

2-8. 2-9.

Show Show

that c/a for hexagonal close packing of spheres is 1.633. that the HCP structure (with c/a = 1.633) and the FCC structure

are equally close-packed, and that the than either of the former.

BCC

structure

is

less

closely

packed

2-10.

The

unit cells of several orthorhombic

crystals are described below.

What
(a)
(6)

is

the Bravais lattice of each and

of the
of the

how do you know?

cell cell

Two atoms
Four atoms

same kind per unit same kind per unit

located at
located at

0,
z,

\.

z,

f (^
J

+ z),
+ x)

00(|
(c)

+ 2).
cell

Four atoms of the same kind per unit

(I

located at x y

z,

xy

z,

y)

*,

(I

-*)(*

+ y) *
A located \, \\ 0.
at J
0,

(d)

Two atoms
kind

of

one kind

J J; and two atoms of another

located at

2-11.

Make

and show the shear responsible

a drawing, similar to Fig. 2-23, of a (112) twin in a BCC lattice Obtain the magnitude of the for its formation.

shear strain graphically. 2-12. Construct a Wulff net, 18

cm

in diameter

and graduated at 30

intervals,

by

the use of compass, dividers, and straightedge only.

the following problems, the coordinates of
its

Show

all

construction lines.

In some of
projection.

a point on a stereographic prothe center of the

etc.

jection are given in terms of

latitude

and longitude, measured from

the

Thus, the

pole is

90N, 0E,

pole is

0N, 90E,

2-13. Plane A is represented on a stereographic projection by a great circle and S poles and the point 0N, 70W. The pole of plane B passing through the is located at 30N, 50W.

(a)
(b)

Find the angle between the two planes.

Draw

the great circle of plane

is

and demonstrate that the stereographic

protractor the angle between

projection

angle-true

by measuring With a

the great circles of

and B.

PROBLEMS

77

axes described below.

2-14. Pole A, whose coordinates are 20N, 50E, is to be rotated about the In each case, find the coordinates of the final position of show traced out during its rotation. the A and path pole
(a)
(b)

100

60 60

rotation about the to 8. axis, counterclockwise looking from rotation about an axis normal to the plane of projection, clockwise to

NS

the observer.
(c)

rotation about an inclined axis B, whose coordinates are

10S,

30W,

clockwise to the observer.

2-16.

Draw
{

the form

100}

a standard (111) projection of a cubic crystal, showing all poles of 1 10 (111) and the important zone circles between them. Com,

pare with Figs. 2-36(a) and (b). 2-16. Draw a standard (001) projection of white tin (tetragonal, c/a = 0.545), 1 10 01 1 1 1 1 and the important 100 { showing all poles of the form 001 zone circles between them. Compare with Fig. 2-36(a).
1 1
,

) ,

1 ,

2-17.

Draw a standard
all

(0001) projection of beryllium (hexagonal, c/a

1.57),

showing
2-18.

zone circles

form {2l70j, {lOTO}, {2TTl|, (10Tl| and the important between them. Compare with Fig. 2-38.
poles of the

On a

standard (001) projection of a cubic crystal, in the orientation of

Fig. 2~36(a), the pole of a certain plane has coordinates

53.3S, 26.6E.

What

are its Miller indices?

Verify your answer by comparison of measured angles

with those given in Table 2-3. 2-19. Duplicate the operations shown in Fig. 2-40 and thus find the locations What are their of the cube poles of a (TTl) reflection twin in a cubic crystal.
coordinates?
2-20.

Show

that the twin orientation found in Prob. 2- 1 9 can also be obtained

by
(a) Reflection in
(6)
(c)

a 1112) plane.

180

60

rotation about a (ill) axis. rotation about a (ill) axis.

Which one? Which one? Which one?

poles during their rotation.

In

(c),

show the paths traced out by the cube