Chapter – 4

Symmetry and Crystal Structure

In the earlier chapters we developed an understanding of simple crystal structures by first

considering the ways in which atoms or ions could pack together and then introducing smaller
atoms or ions into the interstices between the larger ones. This is a practical approach as it not only
provides us with an immediate and straightforward understanding of the atomic/ionic
arrangements in some simple compounds, but also suggests the ways in which more complicated
compounds can be built up.
However, it is not a systematic and rigorous approach. This is because all the possibilities of
atomic arrangements in all crystal structures are not explored. The systematic approach is to
analyse and classify the geometrical characteristics of patterns to arrive at a completely general
description of all the patterns to which atoms or molecules might conform in the crystalline state.
The theory of internal structure of three dimensional crystal is basically the same as two
dimensional crystals. The structure of three dimensional crystal is, however, more complicated
because of the extra dimension. We shall begin with a discussion of the internal structure of two
dimensional crystals. Following the treatment in two dimensions we shall explore three
dimensional crystallography.
 Introduction to Crystallography

TWO-DIMENSIONAL PATTERNS AND LATTICES

Let us consider the symmetry of the letters R, M, and S. R is asymmetrical. M consists of two
equal sides, each of which is a reflection or mirror image of the other; there is a mirror line of
symmetry down the centre indicated by the letter m, thus Mm. There is no mirror line in the S, but
if it is rotated 1800 about a point in its centre, an identical S appears; there is a two-fold rotation
axis usually called a diad axis at the centre of the S. This is represented by a little lens-shape at the
axis of rotation: S

Unit Cell
(a) (b) (c)
Fig. 4.1: (a) A Pattern with the Motif R (b) A Pattern with the Lattice Points Indicated
and (c) the Lattice and Unit Cell Outlined

Fig. 4.1(a) is made up of the letter R repeated indefinitely. R is asymmetric in shape and may
represent anything, a two dimensional molecule, a cluster of atoms or whatever. R is called the
motif. These motifs may be considered to be situated at or near the intersections of an (imaginary)
grid. The grid is called the lattice and the intersections are called lattice points.
The lattice points may be above, below, to one side, in the ‘middle’ of the motif – the only
requirement is that the same position with respect to the motif is chosen every time. In Fig. 4.1(b)
a position a little below the motif has been chosen as the lattice points.
Now there are an infinite number of ways in which the lattice points may be ‘joined up’ (i.e. an
infinite number of ways of drawing a lattice or grid of lines through lattice points). In practice, a
grid is usually chosen which ‘joins up’ adjacent lattice points to give the lattice as shown in Fig.
4.1(c), and a unit cell of the lattice may also be outlined. Clearly, if we know (1) the size and shape
of the unit cell and (2) the motif which each lattice point represents, including its orientation with
respect to the lattice point, we can draw the whole pattern or build up the whole structure
indefinitely.
The unit cell of the lattice and the motif, therefore, define the whole pattern or structure. This is
very simple: but observe an important consequence. Each motif is identical and, for an infinitely
extended pattern, the environment of each motif is identical. This provides us with the definition of
a lattice (which applies equally in two and three dimensions): a lattice is an array of points in space
in which the environment of each point is identical.

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It should be remembered that the condition ‘the environment of each point is identical’ is
important. For example, the points in Fig. 4.2 extend infinitely. Of these only (a) and (d) constitute
a lattice; in (b) and (c) the points are certainly in a regular array, but the surroundings of each point
are not all identical.

(a) (b)

(c) (d)

Fig. 4.2: Patterns of Points. Only (a) and (d) Constitute Lattices

Fig. 4.2(a) and (d) represent two two-dimensional lattice types, named oblique and rectangular
respectively in view of the shapes of their unit cells. But in effect the rectangular lattice is just a
special case of the oblique lattice, i.e. with a 90o angle. The distinction arises from different
symmetries of the two lattices. Thus we require to extend our notions of symmetry and to classify
a series of symmetry elements. This precise knowledge of symmetry can then be applied to both
the motif and the lattice and will show that there are a limited number of patterns with different
symmetries (only seventeen) and a limited number of two-dimensional lattices (only five).

TWO-DIMENSIONAL SYMMETRY ELEMENTS

A pattern has the property of being produced by some basic design repeatedly undergoing a series
of prescribed spatial motions. A symmetry operation is an operation that can be performed either
physically or imaginatively that results in no change in the appearance of an object. In other
words, the various operations that can be performed up on an object which result in bringing it into
coincidence with its initial position are known as symmetry operations. The fundamental
symmetry operations are (i) rotation about an axis, (ii) reflection about a plane and (iii) rotation
about an axis combined with an inversion (rotary-inversion). Any grouping whose elements can be
related by repeating the same spatial operation is said to be symmetrical.

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Rotational Symmetry
If an object can be rotated about an axis and repeats itself every 90o of rotation then it is said to
have an axis of 4-fold rotational symmetry. The axis along which the rotation is performed is an
element of symmetry referred to as a rotation axis. The following types of rotational axis are
possible in crystals.

Fig. 4.3: Rotational Symmetry

1-fold rotation axis – an object that requires rotation of a full 360o in order to restore it to its
original appearance has no rotational symmetry. Since it repeats itself 1 time every 360o it is said
to have a 1-fold axis of rotational symmetry.
If an object appears identical after a rotation of 180o, that is twice in a 360o rotation, then it is said
to have a 2-fold rotation axis (360o/180 = 2). In these examples, the axes we are referring to are
imaginary lines that extend toward you perpendicular to the page. A filled oval shape represents
the point where the 2-fold rotation axis intersects the page.
Objects that repeat themselves upon rotation of 120o are said to have a 3-fold axis of rotational
symmetry (360o/120 = 3) and they will repeat three times in a 360o rotation. A filled triangle is
used to symbolize the location of 3-fold rotation axis.
Similarly an object with a 4-fold axis of rotational symmetry will repeat itself four times in a 360o
rotation (and is represented by a filled square) while an object that repeats itself six times in a 360o
rotation is said to have 6-fold symmetry (a filled hexagon is used as a symbol). No other rotation
axes are possible in crystals.

Mirror Symmetry
A mirror symmetry operation is an imaginary operation that can be performed to reproduce an
object. The operation is done by imagining that you cut the object in half, then place a mirror next
to one of the halves of the object along the cut. If the reflection in the mirror reproduces the other
half of the object, then the object is said to have a mirror symmetry. The plane of the mirror is an
element of symmetry referred to as a mirror plane and is symbolised with the letter m.

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Generation of Motifs with Different Symmetries

The concept of symmetry can be developed by using an asymmetrical ‘object’ (say R). Successive
additions of different mirror lines and axes of symmetry will cause R to be repeated to form
different patterns of groups. The different patterns of Rs which are produced correspond to objects
or projections of molecules (i.e, ‘two-dimensional molecules’) with different symmetries which
are not possessed by the R alone.

(a) (b) (c)

(d) (e)

Fig. 4.4: Generation of Motifs with Different Symmetries (a) Cis-difluoroethane (b)
Ethane (c) Trans difluoroethane (d) Trialkylfluoride Ammonium and (e) Carbonate Ion

For example, in Fig. 4.4(a) ‘right-‘ and ‘left-‘ handed Rs are reflected in the ‘vertical’ mirror line
between them. This pair of Rs has the same mirror symmetry as the letter M, or the projection of
the cis-difluoroethene molecule. A reflection across a mirror line generates a new motif that has
the opposite handedness (i.e., a left hand is turned in to a right hand). It is impossible to
superimpose the motifs that are symmetric ally related by reflection if the motif movements are
confined to their common plane. Such patterns made up of non-congruent pairs (one left hand and
one right hand) is said to be enantiomorphous. Now if we add another ‘horizontal’ mirror line as in
Fig. 4.4(b). A group of four Rs – two right and two left handed – is produced. This group has the
same symmetry as the single letter O or the projection of the ethane molecule. The R may also be
repeated with a diad (two-fold rotation) axis [Fig. 4.4 (c)]. The two Rs – both right handed – have

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the same symmetry as the letter S, or the trans-difluoroethene molecule. Rotation does not change
the motif’s handedness (a pattern made by rotating a left hand about an axis will be composed of
all left hands). Such motifs are said to be congruent as distinct from pairs of motifs created by
reflection. If the operation of rotation results in a congruent set, it is called a proper rotation and
the rotation axis is called a proper rotation axis.
In Fig. 4.5 (a) and (c) [or (b) and (d)] are related by reflection through m1 and m2, by two fold
rotation or inversion through the central point. A left hand remains a left hand, and (a) and (c) are
congruent. But (a) and (b) are related by reflection only – a left hand is turned into a right hand.
The objects are enantiomorphous.

(a) (b)

(c) (d)

Fig. 4.5: Symmetry Operations in Two Dimensions

If we look back to the group of Rs in Fig. 4.4(b) we can notice that they are also related by a diad
(two-fold rotation axis) at the intersection of the mirror lines: the action of reflecting the Rs across
two perpendicular mirror lines ‘automatically’ generates the two-fold symmetry as well. This
effect, where the action of one symmetry element generates another, is quite general.

Example 4. 1: Symmetry of Rectangle

Show that a rectangle can only have two planes of mirror symmetry, one vertical and one
horizontal. It does not have mirror symmetry along the diagonal lines.

Solution
The rectangle on the left has a mirror plane [Fig. 4.6(a)] that runs vertically on the page and is
perpendicular to the page. The rectangle on the right has a mirror plane that runs horizontally and

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is perpendicular to the page. The Dashed parts of the rectangles below show the part of the
rectangles that would be seen as a reflection in the mirror.

Fig. 4.6(a): Mirror Symmetry of a Rectangle

m?

Fig. 4.6(b): Mirror Symmetry of a Rectangle

The rectangle does not have mirror symmetry along the diagonal lines. This is illustrated in Fig.
4.5(b). If we cut the rectangle along a diagonal such as that labeled m? and reflected the lower half
in the mirror, then we would see what is shown by the dashed lines in the right side of the diagram.
Since this does not reproduce the original rectangle, line m? does not represent a mirror plane.

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Example 4. 2: Symmetries of an Equilateral Triangle.

Fig. 4.7: An Equilateral Triangle.

Solution
If we rotate the depicted equilateral triangle 1200 clockwise about its mid-point, the resulting
image will cover the original completely. The image occupies the same space as did the original.
All internal distances and angles have remained what they were. But all its points, except its mid-
point have been swapped with respect to each other.
Thus we can describe the just mentioned rotation by a swapping of the points indicate in Fig. 4.7.
With respect to our rotation point 3 will be replaced by 1, 2 will be replaced by 3, and 1 will be
replaced by 2. If, on the other hand, we rotate the triangle 2400 it will also cover the original. It
again occupies the same space as before. But this time: 3 will be replaced by 2, 2 will be replaced
by 1, and 1 will be replaced by 3
If we, finally rotate it 3600 we have executed an operation which is in fact equivalent to not having
it rotated at all. But this time: 3 will be replaced by 3, 2 will be replaced by 2, and 1 will be
replaced by 1. So the equilateral triangle has three rotational symmetries, one of which -- rotation
of 0 or 360 degrees - is the identical transformation, in which no points are swapped.
But the equilateral triangle has still more symmetries.
We can detect three mirror lines (reflection lines), each one going from a tip to the center of the
opposite side. When we reflect the triangle with respect to one such reflection line we swap the
two halves of the triangle divided by that line.
So the equilateral triangle has six symmetries, which are rigid transformations such that the
original is exactly covered by the image produced by that transformation: three rotational
symmetries (one of which is the identical transformation) and three reflectional symmetries.

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Fig. 4.4(d) shows the R related by a triad (three-fold) axis. The projection of the tri-alkylfluoride
ammonium ion also has this same symmetry. If we add a ‘vertical’ mirror line [as in Fig. 4.4(e)]
three more (left-handed) Rs are generated, and at the same time, the R are mirror-related not just
in the vertical line but also in two lines inclined at 600 as shown. This is another example of
additional symmetry element – in this case mirror lines -- being automatically generated. This
procedure - of generating groups of R’s which represent motifs with different symmetries - may
be repeated with tetrad (four-fold) and hexad (six-fold) rotation axes of symmetry.

Example 4.3: Possibility to have five-, seven-, eight-, etc., fold rotation axes of symmetry.

Fig. 4.8: Possibility of having a Pentagon or an Octagon

as a Characteristic Motif

An array consists of motifs (with the characteristic symmetry of the array) placed adjacent to each
other. In order to fill the space continuously (a consequence of the translation periodic
requirement) the included angles of the characteristic motifs must fit together at a point such that
adjacent motifs exactly surround the point with no overlap or void.
In the case of equilateral polygon as possible motifs, only those polygons with the included angles
that are submultiples of 2π radians are acceptable where the included angles are given in terms of
the number of sides by π (1 - 2/n). The objects themselves may appear to have 5-fold or 8-fold
rotation axes. However, we can not combine objects with 5-fold and 8-fold apparent symmetry in
such a way that they will completely fill the space (Fig. 4.8). That is why 5-fold or 8-fold rotation
axes are not possible in crystals. Thus pentagons or octagons do not constitute characteristic
motifs.

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Altogether there are ten such symmetries in two dimensions: 6 unique symmetries (1, 2, 3, 4, 6,
and m) and 4 combinations (2mm, 3m, 4mm, and 6mm). They are known as plane point groups, so
called because all the symmetry elements pass through one point (i.e. at least one point is common
to all symmetry elements). The ten plane point groups are labeled with symbols which indicate the
symmetry elements present; m for one mirror plane, mm or mm2 for two mirror planes (plus diad),
2 for a diad, 3 for a triad, 3m for a triad and three mirror planes and so on.
In some cases short hand symbols are used. For example, in Fig. 4.4(b) two mirror planes intersect
in a two-fold axis. In this case, two of the elements are sufficient to define the whole, and this
particular point group is normally given the short symbol mm, rather than the full symbol 2mm or
mm2. Similarly, three mirror planes meeting in a three-fold axis [Fig. 4.4(e)] are adequately
represented by 3m. The full symbol 3 mmm is not needed because two of the m’s are redundant,
being created by the action of the three-fold axis on the other one.

THE FIVE PLANE LATTICES

We can now determine the number of possible two-dimensional or plane lattices. The important
criterion for this determination is that the lattice itself must possess the symmetry of the motif; it
may possess more symmetry elements but it cannot possess fewer. In other words, the symmetry
of the arrangement of lattice points around each lattice point must be the same as, or greater than,
the symmetry of the motif. In Fig. 4.2(d) each lattice point and half-way between there are vertical
and horizontal lines of symmetry intersecting diad axes. The motif of Fig. 4.4(b) also has this
symmetry and, therefore, it follows that a pattern with such a motif will have a rectangular lattice.
The motif of Fig. 4.4(a) has one mirror line, and a pattern with this motif will also have a
rectangular lattice -- in this case the symmetry of the lattice is greater than that of the motif. On the
other hand, the motifs with one or two mirror lines of symmetry [Figs 2.4(a) and (b)] cannot occur
in a pattern with the oblique lattice because the oblique lattice does not itself have any mirror lines
of symmetry.
This procedure can be applied to all the other motifs. For example, a motif with tetrad (four-fold)
symmetry applies to a pattern with a square lattice and a motif with triad (three-fold) symmetry
[Figs 2.4(d) and (e)] and hexad (six-fold) symmetry will apply to a pattern with an hexagonal
lattice. Altogether, five two-dimensional or plane lattices may be worked out, as shown in Fig. 4.9.
They are described by the shapes of the unit cells which are drawn between lattice points --oblique
p, rectangular p, rectangular c (which is distinguished from rectangular p by having an additional
lattice point in the centre of the cell), square p and hexagonal p.
All two-dimensional patterns must be based upon one of these five plane lattices; no others are
possible. There is no doubt that a large number of unit cell shapes are possible, but the pattern of
lattice points which they describe will be one of the five of Fig. 4.7. For example, the rectangular c
lattice may also be described as a rhombic p or diamond p lattice, depending upon which unit cell
is chosen to ‘join up’ the lattice points (Fig. 4.10). These are just two alternative descriptions of
the same arrangement of lattice points.

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Oblique - p

Rectangular - p

Rectangular - C

Square - p

Hexagonal - p

Fig. 4.9: Unit Cell of Five Planer Lattices showing (right) the
Symmetry Elements present

Thus the choice of unit cell is arbitrary: any four lattice points can be joined up to form a unit cell.
Usually we choose a unit cell that is as small as possible - or ‘primitive’ (symbol p)-which does
not contain other lattice points within it. Sometimes a larger cell is more useful because the axes
joining up the sides are at 900. Examples are the rhombic or diamond lattice which is identical to

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the rectangular centred lattice described above. [An important three-dimensional case: the cubic
cell is used to describe the ccp (cubic close packed) structure in preference to the primitive
rhombohedral cell.

Fig. 4.10: The Rectangular C lattice, showing the Alternative Primitive

(Rhombic P or Diamond P) Unit Cell

There are ten point group symmetries that a motif can possess (five of which are shown in Fig.
4.8) and it may be thought that there are therefore, only ten different types of two dimensional
patterns distributed among the five plane lattices.

Fig. 4.11: Reflection and Translation can Lead to an

Operation Called Glide.

However, the combination of operations can give rise to an additional symmetry element. For
example, the combined operation of translation and reflection give rise to what is known as glide
(Fig. 4.11).

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In Fig. 4.12 both the patterns have a rectangular lattice. In Fig. 4.12(a) the motif has mirror
symmetry and consists of a pair of left and right handed Rs.

(a) (b)

Fig. 4.12: Patterns with (a) Reflection Symmetry and (b) Glide Reflection Symmetry.
[The mirror lines (m) and glide lines (g) are indicated]

In Fig. 4.12(b) there is still a reflection - still pairs of right-and left-handed Rs - but one set of Rs
has been translated, or glided half a lattice spacing. This symmetry is called a reflection-glide or
simply a glide line of symmetry. It is important to remember that this glide plane is displaced
from the original mirror of the point group. The translation must be half the cell edge so that after
two operations of a glide, the motifs are returned to the same configuration as the next lattice
point. Glide lines give seven more two-dimensional patterns, giving seventeen in all - the
seventeen plane groups.

THREE DIMENSIONAL SYMMETRY ELEMENTS

The structure of three dimensional crystal is basically the same as that of two dimensional crystals.
However, the number of three-dimensional patterns are many more than the two-dimensional
patterns. Fortunately, it is not essential to work out all the three-dimensional patterns
systematically: a clear understanding of the principles that are involved, the operation and
significance of the additional symmetry elements and the main results are usually adequate.
The additional point symmetry elements required in three dimensions are centres of symmetry,
mirror planes (instead of lines) and inversion axes; the additional translation symmetry elements
are glide planes (instead of lines) and screw axes.

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THREE DIMENSIONAL SYMMETRY ELEMENTS

The structure of three dimensional crystal is basically the same as that of two dimensional crystals.
However, the number of three-dimensional patterns are many more than the two-dimensional
patterns. Fortunately, it is not essential to work out all the three-dimensional patterns
systematically: a clear understanding of the principles that are involved, the operation and
significance of the additional symmetry elements and the main results are usually adequate.
The additional point symmetry elements required in three dimensions are centres of symmetry,
mirror planes (instead of lines) and inversion axes; the additional translation symmetry elements
are glide planes (instead of lines) and screw axes.

Centre of Symmetry
Fig. 4.13 shows two motifs symmetrically related by the operation of inversion. In this operation
[Fig. 4.13(a)] lines are drawn from all points on the object through a point in the centre called a
centre of symmetry or inversion centre (a point element symbolized by the letter i). The lines each
have lengths that are equidistant from the original points. When the ends of the lines are connected
the original object is reproduced inverted from the original appearance. In Fig. 2 only a few such
lines are drawn for the small triangular face. Fig. 4.13(b) shows the object without the imaginary
lines that reproduced the object.

(a) (b)

Fig. 4.13: Inversion through a centre of Symmetry

If an object has only a centre of symmetry, we say that it has a 1-fold rotoinversion axis. Crystals
that have a centre of symmetry will exhibit the property that if you placed it on a table there will
be a face on the top of the crystal that will be parallel to the surface of the table and identical to the
face resting on the table.

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Glide Planes and Screw Axes

We have seen that in two dimensions translational symmetry elements or glide lines arise. In three
dimensions also it is possible to have symmetry elements in which a translation is involved. Two
important hybrid operations containing translation elements are shown in Fig.2.14. The first is a
combination of proper rotation and a translation along the axis [Fig. 4.14(a)]. Here the symmetry
element is called a screw axis since the motif follows a spiral path as shown. The action of a
driving screw is an example of an object possessing this type of symmetry (a bolt is really a better
example than a screw since most screws taper to a point).

(a)

(b)

Fig. 4.14: Hybrid Symmetry Operations with Translation

(a) Screw Operation (b) Glide Reflection

Screw axes are noted by a number n, where the angle of rotation is 360o/n. The degree of
translation is then added as a subscript showing how far along the axis the translation is, as a
portion of the parallel lattice vector. For example, 21 is a 180o (two-fold) rotation followed by a
translation of ½ of the lattice vector. Typically the magnitude of the translation part of the screw
location is equal to the lattice translation parallel to the screw axis divided by the fold of the
rotation part of screw rotation. Thus a six-fold screw axis would translate a motif 1/6 of the lattice
translation parallel to the screw axis and rotate the motif 60o about the screw axis. Screw rotation
is a congruent operation. However, the screw axis may be left-handed or right-handed.
A combination of a translation with a reflection operation, called a glide reflection results in a
glide plane illustrated in Fig. 4.14(b). Because a glide plane combines the operation of reflection
with that of translation it occurs only in extended arrays.

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Fig. 4.15 shows an aerial view of a boat rowed by eight crews. It is obviously related to a mirror
plane, but each rower in Fig. 4.15 is the mirror image of one rowing immediately in front or
behind. Any figure is related to the next by moving one place along the boat and then reflecting
across a mirror plane.

Fig. 4.15: An Ariel View of Eight Rowers Showing a Translational Symmetry Operation;
Each Rower is Related to the next by a Combination of Translation and Reflection.

Example 4.3: The symmetry content of the crystal with rectangular sides and square ends.

A4
m
m
m m

A2
m A2

A2
A2

Fig. 4.16: Symmetry of a Crystal with Rectangular Sides and Square Ends

Solution
The crystal (Fig. 4.16) has the following symmetry elements:
(1) 1 – 4-fold rotation axis (A4)
(2) 4 – 2-fold rotation axes (A2), two cutting the faces and two cutting the edges.

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(3) 5 mirror planes (m), 2 cutting across the faces, 2 cutting through the edges, and one
cutting horizontally through the centre.
(4) There is a centre of symmetry (i).
The symmetry content of this crystal is thus: i, 1 A4, 4 A2, 5m.

Combination of Symmetry Operations

Isolated objects or groups of objects may show any number of mirror planes and any kind of axis;
the symmetry of an infinite array of identical groups, such as is found in crystals, is limited by
having to pack the units together in three dimensions. In fact, in crystals there are 32 possible
combinations of symmetry elements and thus, there are 32 crystal classes. These 32 symmetry
classes can be derived from point-group theory, for they constitute the possible ways to arrange
equivalent points symmetrically around a given point in space. Accordingly they are also called
point groups. The 32 crystal classes are divided among the seven crystal systems in such a way
that each system has a certain minimum of symmetry elements as shown in Table 4.1.

Table 4. 1: Minimum Symmetry Elements in Different Crystal Systems

System Minimum Symmetry Elements
Triclinic None (only one one-fold or one-fold roto-inversion axes)
Monoclinic A single 2-fold rotation axis or a single plane
Orthorhombic Two perpendicular planes or three mutually perpendicular 2-fold axes of
rotation.
Tetragonal A single 4-fold axis of rotation or of rotation-inversion.
Rhombohedral A single 3-fold axis of rotation or of rotation-inversion.
Hexagonal A single 6-fold axis of rotation or of rotation-inversion.
Cubic Four 3-fold rotation axes (along cube diagonals)

Some crystals may possess more than the minimum symmetry elements required by the system to
which they belong, but none may have less.
The non-translational symmetry elements are combined into point group symbols that describe the
symmetry of finite groups. The addition of translation greatly increases the possibilities, so that
instead of 32 point groups 230 space groups (of which two-dimensional analogue is the plane
group) are needed to describe the symmetries of infinite arrays. We have already seen that in two-
dimension a combination of five plane lattices with the appropriate point and translation symmetry
elements gives rise to 17 possible two-dimensional patterns. The point group of a crystal describes
the translation free residue of the total symmetry of that crystal described by its space group.

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Hermann-Mauguin (International) Symbols

There are 32 possible combinations of symmetry operations that define the external symmetry of
crystals. These 32 possible combinations result in the 32 crystal classes. The Hermann-Mauguin
symbols (also called the international symbols) are used to describe the crystal classes from the
symmetry content. The procedure to derive the Hermann-Mauguin symbols will now be discussed
with the aid of some examples.

Example 4.4: Hermann-Mauguin Symbol of a Rectangular Block

The rectangular block (Fig. 4.15) has 3 (three) 2-fold rotation axes (A2), 3 mirror planes (m), and a
center of symmetry (i). The rules for deriving the Hermann-Mauguin symbol are as follows:
A2

m A2

A2
Fig. 4.15: Symmetry Symbols of a Rectangular Block

1. Write a number representing each of the unique rotation axes present. A unique rotation axis
is one that exists by itself and is not produced by another symmetry operation. In this case, all
three 2-fold axes are unique, because each is perpendicular to a different shaped face, so we
write a 2 (for 2-fold) for each axis
2 2 2
2. Next we write an "m" for each unique mirror plane. Again, a unique mirror plane is one that
is not produced by any other symmetry operation. In this example, we can tell that each
mirror is unique because each one cuts a different looking face. So, we write:
2m2m2m
3. If any of the axes are perpendicular to a mirror plane we put a slash (/) between the symbol for
the axis and the symbol for the mirror plane. In this case, each of the 2-fold axes are
perpendicular to mirror planes, so our symbol becomes:
2/m2/m2/m

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Example 4.5: Symbol for a Block with a 2-fold Axis and 2 Mirror Planes

A2

m
m

Fig. 4. : Symmetry Symbols for the Rhombic Pyramidal Crystal Class

This model has one 2-fold axis and 2 mirror planes. For the 2-fold axis, we write:
2
Each of the mirror planes is unique. This is because each one cuts a different looking face. So, we
write 2 "m"s, one for each mirror plane:
2mm
The 2-fold axis is not perpendicular to a mirror plane, so we need no slashes. The final symbol is
then:
2mm
For this crystal class, the convention is to write mm2 rather than 2mm.

Example 4.6: Symbol for a Crystal with one 4-fold axis, four 2-fold axes, five mirror planes
and a centre of symmetry.
It contains 1 4-fold axis, 4 2-fold axes, 5 mirror planes, and a center of symmetry. The 4-fold axis
is unique. There are 2 2-fold axes that are perpendicular to identical faces, and 2 2-fold axes that
run through the vertical edges of the crystal. Thus there are only 2 unique 2 fold axes, because the
others are required by the 4-fold axis perpendicular to the top face. So, we write:
4 2 2
Although there are 5 mirror planes in the model, only 3 of them are unique. Two mirror planes cut
the front and side faces of the crystal, and are perpendicular to the 2-fold axes that are
perpendicular to these faces. Only one of these is unique, because the other is required by the 4-

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fold rotation axis. Another set of 2 mirror planes cuts diagonally across the top and down the
edges of the model. Only one of these is unique, because the other is generated by the 4-fold
rotation axis and the previously discussed mirror planes. The mirror plane that cuts horizontally
through the crystal and is perpendicular to the 4-fold axis is unique. Since all mirror unique mirror
planes are perpendicular to rotation axes, our final symbol becomes:
4/m2/m2/m
A4

m
m m

m A2
A2
m
A2 A2

Fig. 4.17: A Crystal with one 4-fold axis, four 2-fold axes, five
mirror planes and a centre of symmetry

THE 3-D CRYSTALS

The Bravais lattices may be thought of as being built up by stacking layers of the five plane
lattices, one on top of another (Table 4.2). The cubic and tetragonal lattices are based on the
stacking of square lattice layers; the orthorhombic P and I lattices are based on stacking of
rectangular layers; the orthorhombic C and F lattices on the stacking of the rectangular C layers;
the rhombohedral and hexagonal lattices on the stacking of hexagonal layers and the triclinic
lattices on the stacking of oblique layers.

Table 4.2: Relationship Between Plane and Bravais Lattices

Plane Lattice Bravais lattice Formed
Square Cubic and tetragonal
Rectangular Orthorhombic P and I
Rectangular C Orthorhombic C and F
Hexagonal Rhombohedral and hexagonal
Oblique Monoclinic and triclinic

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These relationships between the plane and the Bravais lattices are easy to see, except perhaps for
the rhombohedral lattice. The rhombohedral unit cell has axes of equal length and with equal
angles between them. The hexagonal and the rhombohedral lattices differ in the ways in which the
hexagonal layers are stacked. In the hexagonal lattice they are stacked directly one on top of the
other. In the rhombohedral lattice they are stacked such that the next two layers of points lie above
the triangular interstices of the layer below, giving a three layer repeat.
The hexagonal and the rhombohedral stacking sequences have been met before in the stacking of
close packed layers (p.22). The hexagonal and rhombohedral lattices differ in the ways in which
the hexagonal layers are packed. The close packed hexagonal lattice corresponds to ABAB…
sequence and the rhombohedral lattice corresponds to fcc ABCABC.. sequence.
In this way, the 14 space lattices called the Bravais lattices can be obtained. These space lattices
can be broken down in to seven axial systems whose characteristics are given in Table 2.2(p. 15).

The Symmetry of the Fourteen Bravais Lattices: Crystal Systems

The unit cells of the Bravais lattices may be thought of as the building blocks of crystals. Hence
the external shape, or the observed symmetry of crystals, will be based upon the shapes and
symmetry of the Bravais lattices. We shall now describe the point symmetry of the unit cells of the
Bravais lattices.

(a) (b)

Fig. 4.18: The Point Symmetry Elements

(a) Cubic Unit Cell (b) Orthorhombic Unit Cell

The highest symmetry of all is that of the cubic system [Fig.2.18(a)]. It contains a total of nine
mirror planes: (i) three parallel to the cube faces and six parallel to the face diagonals, (ii) three
tetrad (four-fold) axes perpendicular to the three sets of cube faces, (iii) four triad (three-fold) axes
running between opposite cube corners, and (iv) six diad (two-fold) axes running between the
centres of opposite edges. This collection of symmetry elements is called point group symmetry of
the cube, because all the elements, planes and axes, passes through a popint in the centre.
Similarly, Fig. 4.18(b) shows the point group symmetry of an orthorhombic unit cell. An

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orthorhombic crystal has two-fold symmetry in three mutually perpendicular directions, the
crystallographic axes are taken parallel to the symmetry directions, so the unit cell is orthogonal.
The point group symmetry of these unit cells [Figs. 4.18(a) and 4.18(b)] is independent of whether
the cells are centred or not. All three cubic lattices, P (primitive, 1 lattice point per cell), I (body
centred, one additional lattice point at the centre of the unit cell) and F (face centred, additional
lattice points at each face of the unit cell) have the same point group symmetry; all four
orthorhombic lattices, P, I, F and C have the same point group symmetry and so on. This simple
observation leads to an important conclusion: it is not possible, from the observed symmetry of a
crystal, to tell whether the underlying Bravais lattice is centred or not. Therefore, in terms of their
point group symmetries, the Bravais lattices are grouped, according to the shapes of their unit cells
into seven crystal systems. For example, crystals with cubic P, I or F lattices belong to the cubic
system, crystals with orthorhombic P, I, F or C lattices belong to the orthorhombic system, and so
on.
However, some crystals with a hexagonal lattice (e.g. α-quartz) do not show hexagonal (hexad)
symmetry but have triad symmetry. Such crystals are assigned to the trigonal system rather than to
the hexagonal system. Hence the trigonal system includes crystals with both hexagonal and
rhombohedral Bravais lattices. There are no axes or planes of symmetry in the triclinic system.
The only symmetry that the triclinic lattice possesses (and which is possessed by all the other
lattices) is a centre of symmetry. There is, therefore, no restriction on the shape of the unit cell: all
three angles α, β, and γ have to be specified and hence the system is called triclinic.

Fig. 4.19: FCC Point Lattice Referred to Cubic

and Rhombohedral Cells

It must be emphasized that it is always possible to define a primitive unit cell. For example, the fcc
lattice (Fig. 4.19) may be referred to the primitive cell indicated by the dashed lines. The latter cell
is rhombohedral, its axial angle is 60o. Each cubic cell has 4 lattice points associated with it, each
rhombohedral cell one. Nevertheless, it is 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.

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QUESTIONS AND PROBLEMS

4.1. Distinguish between a motif and a lattice point.
4.2. Define symmetry. Explain the basic symmetry operations.
4.3. Explain the symmetry of the upper case English letters: M, S and O.
4.4. Distinguish between a mirror plane and a glide plane of symmetry.
4.5. Distinguish between a proper and improper rotation axis.
4.6. Distinguish between congruent and enentiomormorphous objects.
4.7. Explain the important criteria that the lattice itself must possess at least the symmetry of the
motif.
4.8. Show, with suitable examples, that the action of one symmetry element generates another.
4.9. Identify the symmetry of an equilateral triangle.
4.10. Identify the symmetry of an square and a rectangle.
4.11. Show that it is not possible to have 5-fold rotational symmetry.
4.12. Show that it is not possible to have 8-fold rotation axis of symmetry.
4.13. Identify all plane point group symmetry.
4.14. Use a suitable example and show that the choice of the unit cell is arbitrary.
4.15. Distinguish between a screw operation and a glide reflection.
4.16. List the minimum symmetry elements in different crystal systems.
4.17. Consider a rectangular block and explain the procedure to derive the Hermann-mauguin
symbols.
4.18. Use suitable examples and show that the bravais lattices may be built up by stacking layers
of the five plane lattices.
4.19. Use suitable examples to show that it is not possible from the observed symmetry of a
crystal to tell whether the underlying Bravais lattice is centred or not.
4.20 Determine the point group symmetry of a chess board (a) without the chessmen and (b) with
the chessmen in the opening position (ignore the colour of the chessmen).
4.21. Make and examine the crystal models of NaCl, CsCl, ZnS (wurzite), and ZnS (sphalerite).
Identify the lattice and describe the motif of each structure.
4.22 Draw neat sketches to show the symmetry elements of a cube.
4.23 Identify the symmetry content of the crystal with rectangular sides and square ends.

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SOLUTION TO THE PROBLEMS

2.1. (a) A diad at the centre of the board and two diagonal mirror lines
(b) A diad only.

2.2.
Structure Bravais Lattice Motif
NaCl Cubic F (Na and Cl)
CsCl Cubic P (Cs and Cl)
ZnS (Wurzite) Hexagonal P 2 Zn + 2S
ZnS (sphalerite) Cubic F (Zn and S)

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