Admission in India

Admission in India 2015
By:
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SPACE LATTICES
Part of
MATERIALS SCIENCE
& A Learners 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
An array of points such that every point has identical

surroundings
In Euclidean space infinite array
We can have 1D, 2D or 3D arrays (lattices)

or
Translationally periodic arrangement of points in space is called a lattice
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
a
Starting with a point the lattice translation vector (basis vector) can generate the lattice
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 reduces to a point). (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)
To admission.edhole.com
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)
Rectangle
(a, b, = 90)
120 Rhombus
(a = b, = 120)
Parallelogram (general)
(a, b, )
It is clear some of them require more parameters to describe than others
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
1 Square Lattice
Unit Cell with

Symmetry elements
(rotational) overlaid
Rotational + Mirrors
Symmetry
b a
Lattice parameters: a = b, = 90
4mm
Why put rotational symmetry elements onto a lattice?

(arent lattices built just out of translation?)
A note on the symmetry
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
2mm
Lattice parameters: a, b, = 90
The shortest lattice translation vector (a < b)
3 Centred Rectangle Lattice
Unit Cell with

Symmetry elements
Lattice parameters: a, b, = 90
Continued
Centred Rectangular Lattice
2mm
We have chosen a different unit cell but this does not
change the structure!
It still remains a centred rectangular lattice
Shape of Unit Cell does not

determine the lattice or the
crystal!!
(a b )
2
We will see the utility of the shortest

lattice translation vector in the topic on
dislocations
4 120 Rhombus Lattice
Unit Cell with

Symmetry elements
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
6mm
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
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

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

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
3 distances (a, b, c)
3 angles (, , )
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)
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, )
Rectangular Prism
Important Note:
do NOT confuse the shape of the unit cell with the crystal systems
(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?
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
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
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
+
2 centres of opposite faces
= [1 (for corners)] + [2 (1/2)] = 2
1
2
Cubic
Cube
I
P
a bc
90
Symmetry of Cubic lattices
4 2
3
m m
Lattice point
Tetragonal
Square Prism (general height)
Symmetry of Tetragonal lattices
4 2 2
mmm
a bc
90
Orthorhombic Rectangular Prism (general height)
One convention
abc
Note the position of

a and b
abc
90
Symmetry of Orthorhombic lattices
Is there a alternate possible set of unit cells for OR?
2 2 2
mmm
Why is Orthorhombic called Ortho-Rhombic?
P
4
Hexagonal
120 Rhombic Prism
a bc
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 it not have an additional atom somewhere in the middle?)
P
5
Trigonal
Parallelepiped (Equilateral, Equiangular)
Rhombohedral
a bc
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: Cubic to Trigonal UC
P
6
Monoclinic
Parallogramic Prism
One convention
abc
abc
90
Note the position of

a, b & c
Symmetry of Monoclinic lattices
2
m
P
7
Triclinic
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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Admission in India 2015

Anandh Subramaniam & Kantesh Balani

A lattice is also called a Space Lattice

An array of points such that every point has identical

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

Let us construct a 1D lattice starting with two points

These points are shown as finite

This would lead to an infinite number of points

In 1D spherical space a lattice can be finite!

In 1D there is only one kind of lattice.

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

How can make some 1-D crystals out

There are three lattice parameters which describe this lattice

Two basis vectors generate the lattice

= 90 in the current example

Some of them have special constraints on the angle

p = number of independent parameters = (p e)

Now let us consider the 5 lattices one by one

Unit Cell with

Why put rotational symmetry elements onto a lattice?

A note on the symmetry

This (4mm) is the symmetry of the square lattice

Unit Cell with

3 Centred Rectangle Lattice

Unit Cell with

Centred Rectangular Lattice

Shape of Unit Cell does not

We will see the utility of the shortest

4 120 Rhombus Lattice

Unit Cell with

Lattice parameters: a = b, = 120

Q: I have seen a different representation of the

120 Rhombus Lattice

The Hexagon shaped cell

1/3 contribution to cell

1 (full) contribution to cell

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

Unit Cell with

Every lattice that you can construct is

Shows the equivalence

Why are some of the possible 2D lattices missing?

The case of the centred square lattice

Note that the symmetries

The case of the centred rhombus lattice

Note that the symmetries

Hence this is not a separate case

The case of the centred parallelogram lattice

Note that the symmetries

Hence this is not a separate case

How can make some 2-D crystals out

3D lattices can be generated with three basis vectors

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

120 Rhombic Prism (Hexagonal)

Parallelepiped (general) (Triclinic)

Used as UC for crystal:

120 Rhombic Prism

Building a 3D cubic lattice

Click here to visualize a step by step construction

Each vertex of the cube is a lattice point

Any general parallelepiped is

In special cases some of these numbers may

Bravais Lattice: various viewpoints

Hence the confusion!!

Lattices have the highest symmetry