SPACE LATTICES

Part of

MATERIALS SCIENCE
& AALearners
LearnersGuide
Guide
ENGINEERING
AN INTRODUCTORY E-BOOK

Anandh Subramaniam & Kantesh Balani

Materials Science and Engineering (MSE)
Indian Institute of Technology, Kanpur- 208016
Email: anandh@iitk.ac.in, URL: home.iitk.ac.in/~anandh
http://home.iitk.ac.in/~anandh/E-book.htm

Space Lattice

A lattice is also called a Space Lattice (or even Bravais Lattice in some contexts)

An array of points in space such that every point has identical

surroundings
This automatically implies two properties of lattices

In Euclidean space lattices are infinite (infinite array)

Lattices have translational periodicity
or
Translationally periodic arrangement of points in space is called a lattice*

We can have 1D, 2D or 3D arrays (lattices)

The motif associated with these lattices can themselves be 1D, 2D or 3D entities.

* this definition arises naturally from the first definition.

Note: points are drawn with finite size for clarity in reality they are 0D (zero dimensional)

1D Lattices

1D Lattices

Construction of a 1D lattice

Let us construct a 1D lattice starting with two points

These points are shown as finite

circles for better visibility!

The point on the right has one to the left and hence by the requirement of identical surrounding
the one of the left should have one more to the left

By a similar argument there should be one more to the left and one to the right

This would lead to an infinite number of points

The infinity on the sides would often be left out from schematics

In 1D spherical space a lattice can be finite!

1D Lattices

r
a
Starting with a point the lattice translation vector (basis vector) can generate the lattice
Though this is called a lattice parameter it is
better described as the unit cell parameter

In 1D there is only one kind of lattice.

This lattice can be described by a single lattice parameter (a).
In 1D Mirror 2-fold Inversion.
(The mirror and the 2-fold axis reduce to a points in 1D). (Shown below for a two line segment object).
To obtain a 1D crystal this lattice has to be decorated with a motif.
The unit cell for this lattice is a line segment of length a.

Click here to see how symmetry operators generate the 1D lattice

Note: Basis vector should not be confused with the basis ( the motif)

How can make some 1-D crystals out

of the lattice we have constructed

Click here

2D Lattices

2D Lattices
2D lattices can be generated with two basis vectors
They are infinite in two dimensions
There are five distinct 2D lattices:
1 Square
2 Rectangle
3 Centered Rectangle
4 120 Rhombus
5 Parallelogram (general)

This aspect can be quite confusing

Note that in the classification of lattices, we are considering the shape of the unit
cell and the disposition of lattice points with respect to that unit cell (i.e., are
there a lattice points only in the corners?, is there lattice point at the centre
also?).
However, at the heart of the classification is the symmetry of the lattice.

To simplify matters:
In this set of slides we will NOT consider symmetries with translation built into them (e.g. glide reflection)

2D Lattices

b
a

Two distances: a, b

There are three lattice parameters which describe this lattice

Two basis vectors generate the lattice

One angle:

= 90 in the current example

 Four (4) Unit Cell shapes in 2D can be used for 5 lattices as follows:
Square
(a = b, = 90)
There are 3 lattice parameters in 2D (two
distances and one included angle)
Rectangle
(a, b, = 90)
120 Rhombus
(a = b, = 120)
Though these are called lattice parameters it
Parallelogram (general) (a, b, )
is better described as the unit cell parameters
It is clear some of them require more parameters to describe than others.
I.e. might exist constraints (amongst these parameters), which reduces the
number of independent lattice parameters.
Some of them have special constraints on the angle.
Can we put them in some order?
The next slide defines a parameter called terseness to order them.

Progressive relaxation of the constraints on the lattice parameters amongst the FIVE 2D lattice shapes

Increasing number t

p = number of independent parameters = (p e)

(discounting the number of =)
c = number of constraints (positive = some number)
t = terseness = (p c)
(is a measure of the expenditure on the parameters

Square (p = 2, c = 2, t = 1)
a=b
= 90

Rhombus (p = 2, c = 2, t = 1)
a=b
= 120
Note how the Square and the Rhombus are in the same level

Rectangle (p = 3, c = 1 , t = 2)
ab
= 90

Parallelogram (p = 3, c = 0 , t = 3)
ab

E.g.
for Square: there are 3 parameters (p)
and
1 = amongst them (e)
p = (p e) = (3 1) = 2

Now let us consider the 5 lattices one by one

Unit Cell with

Symmetry elements
(rotational) overlaid

1 Square Lattice

Rotational + Mirrors

r r
b a

Symmetry

4mm
Lattice parameters: a = b, = 90
Note that these vectors are
translational symmetry
operators (i.e. act repeatedly!)
They are NOT mere vectors!

Why put rotational symmetry elements onto a lattice?

(arent lattices built just out of translation?)

4mhmd

A note on the symmetry

Note that the peridicty of the

lattice is a & b
but the periodicity of the
mirrors along x, y are a/2 and b/2

Rotational + Mirrors

Symmetry

4mm
This (4mm) is the symmetry of the square lattice
Crystals based on the square lattice can have lower symmetry than the lattice itself
If the crystal based on the square lattice has 4mm or 4 symmetry then the crystal will be
called a Square Crystal (else not)

2 Rectangle Lattice

Unit Cell with

Symmetry elements
(rotational) overlaid

Rotational + Mirrors

2mm
Lattice parameters: a, b, = 90
The shortest lattice translation vector (a < b)

3 Centred Rectangle Lattice

Unit Cell with

Symmetry elements
(rotational) overlaid

Lattice parameters: a, b, = 90

Continued

Centred Rectangular Lattice

Rotational + Mirrors

2mm
We have chosen a different unit cell but this does not
change the structure!
It still remains a centred rectangular lattice

r r
(a b )
2

We will see the utility of the shortest

lattice translation vector in the topic on
dislocations

Shape of Unit Cell does

not determine the lattice or
the crystal!!

4 120 Rhombus Lattice

Unit Cell with

Symmetry elements
(rotational) overlaid

Lattice parameters: a = b, = 120

Q: I have seen a different representation of the

same unit cell WITHOUT the 6-folds. How come?
Continued

120 Rhombus Lattice

Rotational + Mirrors

6mm

r r
a b

The Hexagon shaped cell

1/3 contribution to cell
1/3 6 = 2
1 (full) contribution to cell

Often one might see a cell in the form of a hexagon:

This is not a conventional cell (as it is not in the shape of a parallelogram)
This is actually a combination of 3 cells
This cell brings out the hexagonal symmetry of the lattice
It is triply non-primitive (3 lattice points per cell)

5 Parallelogram Lattice

Unit Cell with

Symmetry elements
overlaid

Lattice parameters: a, b, 90

There are no mirrors in parallelogram lattice

Summary of 2D lattices
Lattice

Symmetry

Shape of UC

Lattice Parameters

(a = b , = 90)
(a b, = 90)

1. Square

4mm

1. Square

2. Rectangle

2mm

2. Rectangle

3. Centred Rectangle

2mm

4. 120 Rhombus

6mm

3. 120 Rhombus

(a = b, = 120)

5. Parallelogram

4. Parallelogram

(a b, general value)

Lattice

Simple

Centred

Rectangle

120 Rhombus

Parallelogram

Square

(a b, = 90)

"

Every lattice that you can construct is

present somewhere in the list
the issue is where to put them!

Shows the equivalence

Why are some of the possible 2D lattices missing?

We had seen that there is a rectangle lattice and a centred rectangle lattice.
The natural question which comes to mind is that why are there no centred
square, centred rhombus and centred parallelogram lattices?
We have already answered the question regarding the centred square lattice.
(However, we will repeat the answer here again).

We will also answer the question for the other cases now.

The case of the centred square lattice

Centred square lattice = Simple square lattice

4mm

Note that the symmetries

of are that of the square
lattice

Based on size the smaller blue cell (with half the area) is preferred
This is nothing but a square lattice viewed at 45!

Hence this is not a separate case

The case of the centred rhombus lattice

Centred rhombus lattice = Simple rectangle lattice

Note that the symmetries

of the centred rhombus
lattice are identical to the
rectangle lattice (and not
to the rhombus lattice)

Based on size the smaller green cell (with half the area) is preferred
Hence this is not a separate case

The case of the centred parallelogram lattice

Centred parallelogram lattice = Simple parallelogram lattice

Note that the symmetries

are that of the
parallelogram lattice

Based on size the smaller green cell (with half the area) is preferred
Hence this is not a separate case

How can make some 2-D crystals out

of the lattices we have constructed

Click here

3D Lattices

3D Lattices

3D lattices can be generated with three basis vectors.

They are infinite in three dimensions.
3 basis vectors generate a 3D lattice.
The unit cell of a general 3D lattice is described by 6 numbers (in special cases all these
numbers need not be independent) 6 lattice parameters
As pointed out before, though this is called a
3 distances (a, b, c)
lattice parameter it is better described as the
3 angles (, , ).
unit cell parameters
Not all these parameters may be independent. Some constraints may be placed on them.

A derivation of the 14 Bravais lattices or the existence of 7 crystal systems will not be shown in this introductory course

 There are 14 distinct 3D lattices which come under 7 Crystal Systems

The BRAVAIS LATTICES (with shapes of unit cells as) :
Cube
Square Prism (Tetragonal)
Rectangular Prism (Orthorhombic)
120 Rhombic Prism (Hexagonal)
Parallelepiped (Equilateral, Equiangular)
(Trigonal)
Parallelogram Prism (Monoclinic)
Parallelepiped (general) (Triclinic)

(a = b = c, = = = 90)
(a = b c, = = = 90)
(a b c, = = = 90)
(a = b c, = = 90, = 120)
(a = b = c, = = 90)
(a b c, = = 90 )
(a b c, )

To restate:
the 14 Bravais lattices have 7 different Symmetries
(which correspond to the 7 Crystal Systems).

Shape of UC

Used as UC for crystal:

Lattice Parameters

Cube

Cubic

Square Prism

Tetragonal

(a = b = c, = = = 90)
(a = b c, = = = 90)

Rectangular Prism

Orthorhombic

(a b c, = = = 90)

120 Rhombic Prism

Hexagonal

(a = b c, = = 90, = 120)

Parallelepiped
(Equilateral,
Equiangular)

Trigonal

(a = b = c, = = 90)

Parallelogram Prism

Monoclinic

(a b c, = = 90 )

Parallelepiped (general)

Triclinic

(a b c, )

Important Note:
do NOT confuse the shape of the unit cell with the definition of crystal
systems (crystal systems are defined based on symmetry).
(as we have already seen we can always choose a different unit cell for a given
crystal)

Building a 3D cubic lattice

Click here to visualize a step by step construction

a = b = c,
= = = 90

Actually this is a part of the cubic lattice remember lattices are infinite!

Each vertex of the cube is a lattice point

(no points are shown for clarity)

A General Lattice in 3D
6 lattice parameters
3 distances (a, b, c)
3 angles (, , )

a b c,

Click here to
know more
about

Any general parallelepiped

is space filling

In special cases some of these numbers may

be equal to each other (e.g. a = b) or equal to
a special number (e.g. = 90)
(hence we may not require 6 independent numbers to describe a lattice)

Bravais Lattice: various viewpoints

A lattice is a set of points constructed by translating a single point in
discrete steps by a set of basis vectors.
In three dimensions, there are 14 unique Bravais lattices (distinct from one
another in that they have different space groups) in three dimensions. All
crystalline materials recognized till now fit in one of these arrangements.
In geometry and crystallography, a Bravais lattice is an infinite set of points
generated by a set of discrete translation operations.
A Bravais lattice looks exactly the same no matter from which point in the lattice
one views it.
An important property of a lattice
Bravais concluded that there are only 14 possible Space Lattices (with Unit Cells
to represent them). These belong to 7 Crystal systems.
There are 14 Bravais Lattices which are the Space Group symmetries of lattices

A derivation of the 14 Bravais lattices or the existence of 7 crystal systems will not be shown in this introductory course

Time to fasten
you seat-belts the
next few slides
will take you on
a 10 g-force dive

IMPORTANT
Crystals and Crystal Systems are defined
based on Symmetry
& NOT
Based on the Geometry of the Unit Cell
Example

Cubic Crystal
Does NOT imply a = b = c & = =
It implies the existence of two 3-fold axis in the structure

Intrigued!
Want to Know
More?

IMPORTANT
If lattices are based on just translation
(Translational Symmetry (t))
then how come other Symmetries (especially
rotational) come into the picture while choosing
the Crystal System & Unit Cell for a lattice?

Ex
am
pl

A
ns
w
er

Why do we say that End Centred Cubic Lattice does not exist?
Isnt it sufficient that a = b = c & = = to call something cubic?
(why do we put End Centred Cubic in Simple Tetragonal?)

The issue comes because we want to put 14 Bravais lattices into 7 boxes (the 7 Crystal
Systems; the Bravais lattices have 7 distinct symmetries) and further assign Unit Cells
to them
The Crystal Systems are defined based on Symmetries (Rotational, Mirror, Inversion
etc. forming the Point Groups) and NOT on the geometry of the Unit Cell
The Choice of Unit Cell is based on Symmetry & Size (& Convention)
(in practice the choice of unit cell is left to us! but what we call the crystal is not!!)
Continued

ONCE MORE:
When we say End Centred Cubic
End Centred is a type of Lattice (based on translation)
&
Cubic is a type of Crystal (based on other symmetries)
&
Cubic also refers to a shape of Unit Cell (based on lattice parameters)

AND:
To confuse things further
Cubic crystals can have lower symmetry than the cubic lattice
(e.g. Cubic lattices always have 4-fold axis while Cubic Crystals may not have 4-fold axes)

Feeling lost!?!
hang on! some up-coming examples will make things CRYSTAL clear

To emphasize:
The word Cubic (e.g. in a cubic crystal) refers to 3 things
A type of Lattice (based on translation)
&
A type of Crystal (based on other symmetries)
&
A shape of Unit Cell (based on lattice parameters)

Hence the confusion!!

Another
IMPORTANT point

Lattices have the highest symmetry

(Which is allowed for it)
Crystals based on the lattice
can have lower symmetry Click here to know more

14 Bravais Lattices divided into 7 Crystal Systems

A Symmetry based concept

Crystal System
1

Cubic

Tetragonal

We will take up these cases one by one

(hence do not worry!)

Translation based concept

Some guidelines apply

Shape of UC

Bravais Lattices
P

Cube

Square Prism (general height)

Orthorhombic Rectangular Prism (general height)

Hexagonal

Trigonal

Monoclinic

Triclinic

120 Rhombic Prism

Parallopiped (Equilateral, Equiangular)

Parallogramic Prism

Parallelepiped (general)

Why are some of the entries missing?

Why is there no C-centred cubic lattice?
Why is the F-centred tetagonal lattice missing?
.?

Primitive

Body Centred

Face Centred

A/B/C- Centred

Continued

Arrangement of lattice points in the Unit

Cell
& No. of Lattice points / Cell
Position of lattice points

Effective number of Lattice points / cell

8 Corners

= [8 (1/8)] = 1

8 Corners
+
1 body centre

= [1 (for corners)] + [1 (BC)] = 2

8 Corners
+
6 face centres

= [1 (for corners)] + [6 (1/2)] = 4

A/
B/
C

8 corners
+
= [1 (for corners)] + [2 (1/2)] = 2
2 centres of opposite faces

1
2

Cubic

Cube

II

PP
abc

90

Symmetry of Cubic lattices

4 2
3
m m
Lattice point

FF

Tetragonal

Square Prism (general height)

II

PP

Symmetry of Tetragonal lattices

abc

4 2 2
mmm

90

Orthorhombic Rectangular Prism (general height)

One convention

abc

II

PP

Note the position

of a and b

abc

90

FF

Symmetry of Orthorhombic lattices

CC

2 2 2
mmm
Is
Is there
there aa alternate
alternate possible
possible set
set of
of unit
unit cells
cells for
for OR?
OR?

Why
Why is
is Orthorhombic
Orthorhombic called
called Ortho-Rhombic?
Ortho-Rhombic?

Hexagonal

120 Rhombic Prism

abc

90, 120

A single unit cell (marked in blue)

along with a 3-unit cells forming a
hexagonal prism

Symmetry of Hexagonal lattices

6 2 2
mmm

Note: there is only one type of hexagonal

lattice (the primitive one)

What about the HCP?

(Does
(Does itit not
not have
have an
an additional
additional atom
atom somewhere
somewhere in
in the
the middle?)

Trigonal

Parallelepiped (Equilateral, Equiangular)

Rhombohedral

abc

90

Note the position of the

origin and of a, b & c

Symmetry of Trigonal lattices

2
3
m

Some times an alternate hexagonal cell

is used instead of the Trigonal Cell

A trigonal cell can be produced from a cubic

cell by pulling along [111] (the body diagonal)
(keeping the edge length of the cube constant)
Video:
Video:Cubic
CubictotoTrigonal
TrigonalUC
UC

Monoclinic

Parallogramic Prism

One convention

abc

abc

90

Note the position

of a, b & c

Symmetry of Monoclinic lattices

2
m

Triclinic

Parallelepiped (general)

abc

Symmetry of Triclinic lattices

Let us make some 3-D crystals

Click here

An important property of a lattices

This aspect might seem trivial here but is very useful to remember!

If one sits at any lattice point the space around looks identical to the person

Hence we can chart out a set of equivalent points in space

(Which may or may not coincide with the lattice points)

1D
The Xs themselves form an equivalent lattice

2D

3D
Solved The Graphene Crystal
Example
Hence, if for a given crystal (say with FCC lattice decorated with a single atom motif), the edge centre is a position of an
octahedral void then the set of octahedral void positions will form a FCC lattice

Q: I have seen a different representation of the

same unit cell WITHOUT the 6-folds. How come?

As we know lattices have the highest symmetry and hence a 120 rhombus lattice (noting
that this is actually the shape of the UC) always has 6-fold symmetries
However crystals based on the lattice can have lower symmetry which includes only 3fold symmetries
The list of crystals in 2D are (with shapes of UC):
Square Rectangle 120 Rhombus Parallelogram (general)
Unfortunately this does not include a crystal with 3-fold symmetry alone (which could be
called TRIANGULAR analogous to Trigonal in 3D)

Crystal

Symmetries of the Crystal

Note the loss

in a mirror as
well

Hence the 120 Rhombus lattice always has 6-fold axes while crystals based on the lattice may have only 3-folds
Click here

Example of a 3D analogue of this

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