Isometric correspondences

Correspondences between two objects that are congruent

Two objects are congruent if: each point of one object corresponds to a point of
the other, and distance between two points of one object is equal to the distance
between the corresponding two points of the other object

direct

Corresponding angles have same

signs

opposite

Corresponding angles have

opposite signs
1

Other types of
correspondences
In conformal correspondences (or mapping), for example, only angles are
preserved, not distances....

If the isometric congruence is direct, one object can be brought to coincide

with the other by a movement, which can be:
(1) A translation
(2) A rotation around an axis
(3) A rototranslation or srew
movement (combination or
rotation around one
axis+translation along the axial
direction)

For opposite congruence, the object will be said to be

enantiomorphic with respect to the other. The two obects will be
brought to coincidence by the following operations:

(1) An inversion with respect to a point (inversion)

(2) A reflection with respect to a plane (reflection)
(3) The product of a rotation around one axis by an inversion with respect to a
point of the axis (rotoinversion)
(4) The product of a reflection by a translation parallel to the reflection plane
(the plane is called glide plane)
(5) The product of a rotation by a reflection with respect to a plane
perpendicular to the axis (rotoreflection)

Symmetry operations and symmetry elements

If the isometric operations not only bring to coincidence a couple of congruent

objects, but act on the entire space, and all the properties of the space are
unchanged after an operation, then the operation is a symmetry operation.
Symmetry elements are points, axes or planes with respect to which a
symmetry operation is performed.

Symmetry Elements
Translation

Lattices
Translational periodicity can be studied by
considering the geometry of repetition of a
motif (for example a molecule).

Corresponding lattice with some

examples of primitive cells

2D crystal....

Crystal = Lattice + Motif

Corresponding lattice with some

examples of multiple cells 7

Lattice

Motif

Crystal

Lattices
Once a lattice point is chosen as origin of the lattice, any other lattice point is defined
by:
,

u, v:
, :

positive or negative integers

basis vectors of the cell (they define the parallelogram called unit cell)

Choice of basis vectors is arbitrary

If they define cells containing one lattice point each, the cell is primitive

Otherwise the cell is multiple (or centered). In the latter case, u and v are
no longer restricted to integer values
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Lattices
The same holds for linear and space lattices. For a space lattice we have:
, ,

u, v,w: integer (for primitive cells) or rational (for multiple cells) numbers
, , : basis vectors of the cell (they define the parallelepiped, called unit cel)

Direction specified by , , are the X, Y,

Z crystallographic axes, and the angles
between them are indicated by , and

Volume of the unit cell:

Lattice points are always characterized by rational numbers!

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The six lattice parameters a, b, c, , ,

The cell of the lattice

lattice
+ Motif
crystal

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Crystallographic directions
Two lattice points define a lattice row
A lattice row defines a crystallographic direction
For example, the two lattice vectors , , and
define two different lattice points,
, ,
but only one direction

Lattice rows and planes

Direction is uniquely defined

by a vector with no common
factor among the indices:
,
,

For example , , can be

uniquely defined by , ,
13

Rotation
If all the properties of space remain unchanged after a rotation of 2 around
an axis, this will be called a symmetry axis of order n

symmetry axes (1, 2, 3, 4, or 6) rotation of 360, 180, 120, 90, or 60 around a

rotation axis

2-fold
3-fold
4-fold
6-fold
14

Arrangemements of symmetry-equivalent objects as an

effect of a rotation

15

Symmetry restrictions for rotations due to lattice periodicity

Suppose that we have an n axis of symmetry in a crystal. Because of periodicity, we
will have an n axis at each lattice point. Let T be the period vector passing through
the origin of the lattice.
We will have lattice points at:
,
, ,

Then also

must be a lattice vector. Since this is parallel to

have:
In scalar form: 2cos 2

, we

integer

But the equation above is verified only for

n=1, 2, 3, 4, 6. A 5 axis is not allowed!
It is simple to see that a 5 axis is not allowed: it
is impossible to pave a plane with pentagons.

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Axes of rototranslation or screw axes (rotation + translation)

A rototranslational symmetry will have an order n and a translational
component t, if all the properties of space are unchanged after a 2 rotation
around the axis and the translation t along that axis.

17

Effects of screw axes on the surrounding space

18

Effects of screw axes on the surrounding space

19

Effects of screw axes on the surrounding space

20

Right-handed helix

Left-handed helix

21

Effects of screw axes on the surrounding space

22

Restrictions imposed by periodicity to the translational components t of a

screw axis
The axis lies along a row with period T. Rotational components would be n=1,
2, 3, 4, 6. If we apply the traslational component n times, we have a
displacement equal to nt.
Because of the periodicity of the lattice, we must have
Therefore

with integer p.

Example: for a screw axis of order 4, the allowed translational components are
(0/4)T, (1/4)T, (2/4)T, (3/4)T, (4/4)T, (5/4)T

p can be restricted to 0
Also, for p=0 we have the simple n-fold axis with no translation.

Therefore, we will have only (1/4)T, (2/4)T, (3/4)T

23

Arrangemements of symmetry-equivalent objects as an

effect of a screw axis

24

Arrangemements of symmetry-equivalent objects as an

effect of a screw axis

25

Axes of inversion
An axis of inversion of order n is present when all the properties are unchanged
after performin the product of a 2 rotation around an axis followed by
inversion to a point located on the same axis. Symbol is
Simplest case: axis of inversion of order 1, indicated as 1:
No rotation, only inversion with respect to a center
Enantiomorph:
Circle with a comma inside

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Simplest case: axis of inversion of order 2, indicated as 2

rotation by followed by inversion
This is equivalent to a reflection plane perpendicular to the 2
axis, which is indicated by m

Effect of a 3 axis:
This is equivalent to the product of a threefold
rotation by an inversion: 3 31

27

The 4 axis is also a 2 axis

The 6 axis is equivalent to the product of

a threefold rotation by a reflection to a
plane perpendicular to it:
6

3m
28

Symmetry elements:
mirror plane and inversion center

The handedness is changed.

29

Axes of rotoreflection
An axis of rotoreflection of order n is present when all the properties are
unchanged after performin the product of a 2 rotation around an axis
followed by reflection with respect to a plane normal to it. Symbol is

An example is the axis 3

In reality, the effect of these axes is the same of that of the inversion axes:
1

2
2
3
4
6

1
6
4
3

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Arrangemements of symmetry-equivalent objects as an effect of various

symmetry operations

31

Glide Plane
A glide plane operator is present if the properties of the half space on one side
of the plane are identical to those of the other half-space after the product of a
reflection with respect to that plane by a translation parallel to the plane.

Glide reflection (mirror plane + translation)

32

33

Graphical Symbols for symmetry elements

elements

34

Crystallographic planes
Three lattice points define a crystallographic plane
Suppose the plane interesects the crystallographic axes X, Y, Z at the lattice points
(p, 0, 0), (0, q, 0) and (0, 0, r). Let m be the minimum common multiple of p, q, r.
Equation of the plane is:

(0, 0, r)

(p, 0, 0)

c
b

(0, q, 0)

Introducing the fractional coordinates:

,
,
The equation of the plane becomes:
1

35

We now multiply both sides by m (the least common multiple):

We then define:
;

The equation of the plane becomes:

(0, 0, )

( , 0, 0)
And the intercepts of this plane on the axes are
;

(0, , 0)

;
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The equation of the plane below is:

1.1

Then the equation of the plane below,

with intercepts , 00 , 0, , 0 , 0,0,
is:
1 1.2

(0, 0, )
( , 0, 0)
( , 0, 0)

(0, 0, )

(0, , 0)
(0, , 0)

Eq. (1.1) refers then to a plane, the distance of which, from the origin, is m times that
of plane (1.2)
37

Now let us consider that m can vary from - to + . Then the expression above
defines a set of identical and equally spaced crystallographic planes. The three
indexes h, k, l define the family and are its Miller indices. The plane closest to the
origin cuts the axes at 1/h, 1/k, 1/l.
Let us make an example with numbers. See figure of the right:
Intercepts are (3,0,0), (0,2,0) and (0,0,1).
Least common multiple is 6, the equation
of the plane is:
6
2

Therefore:

The set of lattice planes is therefore (236)

The plane closest to the origin is:
2

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Other examples
Crystallogrpahic planes parallel to one of the axes X, Y, Z are defined by
(0kl), (h0l), (hk0)
Crystallogrpahic planes parallel to faces A, B, C are defined by
(h00), (0k0), (00l)

39

Another numerical example for a plane

6

9
Least common multiple is 90.

15

Then:

10

15

90

Family of planes is (10 15 6)

However, the first plane with integer intersections on the three axes will be the
30th. This is because the least common multiple of 10, 15 and 6 is 30.
Indeed, if we divide p, q, and r in ** by their common integer factor (3), we
have:
3

From which we get:

1
10 +15 +6 =30

Conclusion: a family of crystallographic planes is uniquely defined by three

indices h, k and l having the largest common integer factor equal to unity

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Miller Indices
Rules for determining Miller Indices:
1. Determine the intercepts of the face
along the crystallographic axes, in terms
of unit cell dimensions.
2. Divide by any common integer
factor (if bigger than 1)
3. Take the reciprocals
4. Clear fractions
An example of the (111) plane (h=1,
k=1, l=1) is shown on the right.
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Another example:

42

Crystal lattice planes

43

Planes with different Miller indices in cubic crystals

44

Point groups and symmetry classes

In a crystal, more symmetry axes, proper and/or improper, with or without
translational componenets, might coexist
Let us consider only combinations of operators that do not imply translations.
These are called point groups (operators form a group and leave one point
fixed).
The number of crystallographic point groups for three-dimensional crystals is 32.
Single-axis crystallographic point groups
Proper axis

Improper axis

Proper and
improper axis

1 1

2 2

3 31

3 3

4 4

6 3

6 6

+ 5

+3

=13

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Point groups in which more than one symmetry axis pass by a common point
If P is congruent with Q and Q is congruent with
R, then P is congruent with R and there must be a
third l3 axis bringing P into R.
Only combinations of axes allowed: n22 (n=2, 3, 4, 5,
6), 233, 432, 532
In crystals: 222, 322, 422,
622, 233, 432

Arrangement of proper symmetry axes

for six point groups
46

Crystallographic point groups with more than one axis

Crystallographic point groups with more than one axis, each

axis being proper and improper at the same time

47

Molecular examples of some point groups

48

The seven crystal systems

The crystal periodicity is only compatible with rotation or inversion axes of
order 1, 2, 3, 4, 6
The presence of these axes will impose restrictions on the geometry of the
lattice
It is convenient therefore to group together the point groups with common
features into systems, such that crystals belonging to these systems can be
described by unit cells of the same type.
These are known as crystals systems

49

The 32 point groups and their grouping into crystal sytems

Laue classes: classes including point groups differing from

each other only by the presenc of an inversion center.
50

Symmetry of lattices
Lattices have
Translational symmetry
Rotational symmetry
Reflection symmetry

The symmetry elements of the lattice are

contained in the lattice point group

51

As a reminder....This is the lattice

Motif.

52

....This is the crystal.

The underlying lattice in general has a

higher symmetry than that of the crystal!

53

Neumanns principle
The symmetry elements of any physical property must
include the symmetry elements of the crystal point group

Some physical experiments, for example diffraction, show

the symmetry one would obtain by adding one inversion
center. Therefore they reveal the Laue class of the crystal

54

1.

Triclinic system

Point groups (i.e. classes) 1 and 1

No symmetry axes, therefore no constraint axes for

unit cell.
Ratios a:b:c and angles ,, can assume any value

Lattice point group: 1

55

2.

Monoclinic system

Point groups (i.e. classes) 2, m and 2m

These groups have a n=2 axis.

We assume that this coincides with b axis
a and c can be chosen on the plane normal to b
Ratios a:b:c unrestricted
Angles = =90 and unrestricted

Lattice point group: 2m

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3.

Orthorombic system

Point groups (i.e. classes) 222, mm2 and mmm

These groups have have three mutually orthogonal

twofold rotation or inversion axes
We assume these as reference axes
Ratios a:b:c unrestricted
Angles = = =90

Lattice point group: mmm

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4.

Tetragonal system

Point groups (i.e. classes):

4, 4, 4m , 422, 4mm, 42m, 4mmm
These groups have only one fourfold axis.
The c axis is chosen for the direction of this fourfold
axis
a and b axes are symmetry equivalent, on the plane
normal to c
Ratios a:b:c = 1:1:c
Angles = = =90
Lattice point group: 4mmm
58

5, 5.

Trigonal and hexagonal systems

Point groups (i.e. classes):

3, 3,32, 3m, 3m
6, 6, 6m , 622, 6mm, 62m, 6mmm
These groups have only one threefold or sixfold axis.
The c axis is chosen for the direction of the threefold
or sixfold axis
a and b axes are symmetry equivalent, on the plane
normal to c
Ratios a:b:c = 1:1:c
Angles = =90, =120
Lattice point group: 6mmm

59

7.

Cubic system

Point groups (i.e. classes):

23, m3,43m, m3m
These groups have four threefold axes, distruted as
the diagonals of the cube.
a, b and c axes are chosen as coinciding with the
cube edges
Ratios a:b:c = 1:1:1
Angles = = =90
Lattice point group: m3m
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