SPACE LATTICES

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)
Space Lattice
Translationally periodic arrangement of points in space is called a lattice
or
A lattice is also called a Space Lattice
Note: points are drawn with finite size for clarity in reality they are 0D (zero dimensional)
1D Lattices

Construction of a 1D lattice 1D Lattices

Let us construct a 1D lattice starting with two points
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

In 1D spherical space a lattice can be finite!
The infinity on the sides would often be left out from schematics
1D Lattices

In 1D there is only one kind of lattice
This lattice can be described by a single lattice parameter (a)
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
a
Starting with a point the lattice translation vector (basis vector) can generate the lattice
Note: Basis vector should not be confused with the basis ( the motif)
Click here to see how symmetry operators generate the 1D lattice
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 simplify matters:
In this set of slides we will NOT consider symmetries with translation built into them (e.g. glide reflection)
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a

2D Lattices

Two basis vectors generate the lattice
There are three lattice parameters which describe this lattice
One angle: o
Two distances: a, b
= 90 in the current example
o
b
a
Four (4) Unit Cell shapes in 2D can be used for 5 lattices as follows:
Square (a = b, o = 90)
Rectangle (a, b, o = 90)
120 Rhombus (a = b, o = 120)
Parallelogram (general) (a, b, o)
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.
Square (p = 2, c = 2, t = 1)
a = b
o = 90
Rectangle (p = 3, c = 1 , t = 2)
a = b
o = 90
Parallelogram (p = 3, c = 0 , t = 3)
a = b
o
Progressive relaxation of the constraints on the lattice parameters amongst the FIVE 2D lattice shapes
Rhombus (p = 2, c = 2, t = 1)
a = b
o = 120
I
n
c
r
e
a
s
i
n
g

n
u
m
b
e
r

t

Note how the Square and the Rhombus are in the same level
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
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
Square Lattice
Why put rotational symmetry elements onto a lattice?
(arent lattices built just out of translation?)
b a =
Lattice parameters: a = b, o = 90
Unit Cell with
Symmetry elements
(rotational) overlaid
Rotational + Mirrors
1
4mm
Symmetry
Rotational + Mirrors
4mm
Symmetry
A note on the symmetry
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)
Rectangle Lattice
The shortest lattice translation vector (a < b)
Lattice parameters: a, b, o = 90
Unit Cell with
Symmetry elements
(rotational) overlaid
Rotational + Mirrors
2
2mm
Centred Rectangle Lattice
Lattice parameters: a, b, o = 90
Continued

Unit Cell with
Symmetry elements
(rotational) overlaid
3
Rotational + Mirrors
We will see the utility of the shortest
lattice translation vector in the topic on
dislocations
( )
2
a b +
Centred Rectangular Lattice
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!!
2mm
120 Rhombus Lattice
Lattice parameters: a = b, o = 120
Unit Cell with
Symmetry elements
(rotational) overlaid
Q: I have seen a different representation of the
same unit cell WITHOUT the 6-folds. How come?
Continued

4
a b +
Rotational + Mirrors
120 Rhombus Lattice
6mm
The Hexagon shaped 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)
1/3 contribution to cell
1/3 6 = 2
1 (full) contribution to cell
Parallelogram Lattice
Lattice parameters: a, b, o = 90 Lattice parameters: a, b, o = 90
Unit Cell with
Symmetry elements
overlaid
There are no mirrors in parallelogram lattice
5
2
Lattice Symmetry Shape of UC Lattice Parameters
1. Square 4mm 1. Square
(a = b , o = 90)
2. Rectangle 2mm 2. Rectangle
(a = b, o = 90)
3. Centred Rectangle 2mm "
(a = b, o = 90)
4. 120 Rhombus 6mm 3. 120 Rhombus (a = b, o = 120)
5. Parallelogram 2 4. Parallelogram (a = b, o general value)
Summary of 2D lattices
Lattice Simple Centred
Square

Rectangle

120 Rhombus

Parallelogram

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.
This is nothing but a square lattice viewed at 45!
Centred square lattice = Simple square lattice
The case of the centred square lattice
Hence this is not a separate case
Based on size the smaller blue cell (with half the area) is preferred
Note that the symmetries
of are that of the square
lattice
4mm
The case of the centred rhombus lattice
Centred rhombus lattice = Simple rectangle lattice
Based on size the smaller green cell (with half the area) is preferred
Hence this is not a separate case
Note that the symmetries
of the centred rhombus
lattice are identical to the
rectangle lattice (and not
to the rhombus lattice)
The case of the centred parallelogram lattice
Centred parallelogram lattice = Simple parallelogram lattice
Based on size the smaller green cell (with half the area) is preferred
Hence this is not a separate case
Note that the symmetries
are that of the
parallelogram lattice
2
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 (o, |, )
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 (a = b = c, o = | = = 90)
Square Prism (Tetragonal) (a = b = c, o = | = = 90)
Rectangular Prism (Orthorhombic) (a = b = c, o = | = = 90)
120 Rhombic Prism (Hexagonal) (a = b = c, o = | = 90, = 120)
Parallelepiped (Equilateral, Equiangular)
(Trigonal) (a = b = c, o = | = = 90)
Parallelogram Prism (Monoclinic) (a = b = c, o = = 90 = |)
Parallelepiped (general) (Triclinic) (a = b = c, o = | = )
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 (a = b = c, o = | = = 90)
Square Prism Tetragonal (a = b = c, o = | = = 90)
Rectangular Prism Orthorhombic (a = b = c, o = | = = 90)
120 Rhombic Prism Hexagonal (a = b = c, o = | = 90, = 120)
Parallelepiped
(Equilateral,
Equiangular)
Trigonal (a = b = c, o = | = = 90)
Parallelogram Prism Monoclinic (a = b = c, o = = 90 = |)
Parallelepiped (general) Triclinic (a = b = c, o = | = )
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
Each vertex of the cube is a lattice point
(no points are shown for clarity) Actually this is a part of the cubic lattice remember lattices are infinite!
a = b = c,
o = | = = 90
A General Lattice in 3D
6 lattice parameters
3 distances (a, b, c)
3 angles (o, |, )
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)
Any general
parallelepiped is space
filling
a = b = c, o = | =
Click here to
know more
about
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.
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
Bravais Lattice: various viewpoints
An important property of a lattice
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
Cubic Crystal
Does NOT imply a = b = c & o = | =
It implies the existence of two 3-fold axis in the structure
Intrigued!
Want to Know
More?
Example
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 & o = | = 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)
hang on! some up-coming examples will make things CRYSTAL clear
Feeling lost!?!
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!!
Lattices have the highest symmetry
(Which is allowed for it)
Crystals based on the lattice
can have lower symmetry
Another
IMPORTANT point
Click here to know more
Crystal System Shape of UC Bravais Lattices
P I F C
1 Cubic Cube
2 Tetragonal Square Prism (general height)
3 Orthorhombic Rectangular Prism (general height)
4 Hexagonal 120 Rhombic Prism
5 Trigonal Parallopiped (Equilateral, Equiangular)
6 Monoclinic Parallogramic Prism
7 Triclinic 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?
.?
14 Bravais Lattices divided into 7 Crystal Systems
Continued

P Primitive
I Body Centred
F Face Centred
C A/B/C- Centred
A Symmetry based concept
We will take up these cases one by one
(hence do not worry!)
Translation based concept
Some guidelines apply
Arrangement of lattice points in the Unit Cell
& No. of Lattice points / Cell
Position of lattice points Effective number of Lattice points / cell
1 P 8 Corners = [8 (1/8)] = 1
2 I
8 Corners
+
1 body centre
= [1 (for corners)] + [1 (BC)] = 2
3 F
8 Corners
+
6 face centres
= [1 (for corners)] + [6 (1/2)] = 4
4
A/
B/
C
8 corners
+
2 centres of opposite faces
= [1 (for corners)] + [2 (1/2)] = 2
1 Cubic Cube
P I F C
Lattice point
P

I

F

a b c = =
90 o | = = =
4 2
3
m m
Symmetry of Cubic lattices
P I F C
2 Tetragonal Square Prism (general height)
I

P

a b c = =
90 o | = = =
Symmetry of Tetragonal lattices
4 2 2
m m m
P I F C
3 Orthorhombic Rectangular Prism (general height)
P

I

F
C

a b c = =
90 o | = = =
Symmetry of Orthorhombic lattices
2 2 2
m m m
Note the position of
a and b
a b c < <
One convention
Why is Orthorhombic called Ortho-Rhombic? Is there a alternate possible set of unit cells for OR?
P I F C
4 Hexagonal 120 Rhombic Prism
What about the HCP?
(Does it not have an additional atom somewhere in the middle?)
A single unit cell (marked in blue)
along with a 3-unit cells forming a
hexagonal prism
Note: there is only one type of hexagonal
lattice (the primitive one)
a b c = =
90 , 120 o | = = =
Symmetry of Hexagonal lattices
6 2 2
m m m
P I F C
5 Trigonal Parallelepiped (Equilateral, Equiangular)
90 o | = = =
a b c = =
Symmetry of Trigonal lattices
Rhombohedral
2
3
m
Note the position of the origin
and of a, b & c
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)
P I F C
6 Monoclinic Parallogramic Prism
90 o | = = =
a b c = =
Symmetry of Monoclinic lattices
2
m
a b c < <
Note the position of
a, b & c
One convention
P I F C
7 Triclinic Parallelepiped (general)
a b c = =
o | = =
Symmetry of Triclinic lattices
1
Let us make some 3-D crystals Click here
An important property of a lattices
If one sits at any lattice point the space around looks identical to the person
This aspect might seem trivial here but is very useful to remember!
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

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
Solved
Example
The Graphene Crystal
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 3-
fold 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
Hence the 120 Rhombus lattice always has 6-fold axes while crystals based on the lattice may have only 3-folds
Note the loss
in a mirror as
well
Back
Click here Example of a 3D analogue of this