Lattice
Lattice
Lattice
Part of
MATERIALS SCIENCE
& AALearners
LearnersGuide
Guide
ENGINEERING
AN INTRODUCTORY E-BOOK
Space Lattice
A lattice is also called a Space Lattice (or even Bravais Lattice in some contexts)
1D Lattices
1D Lattices
Construction of a 1D lattice
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
The infinity on the sides would often be left out from schematics
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
Note: Basis vector should not be confused with the basis ( the motif)
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)
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
One angle:
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
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
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!
4mhmd
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
Rotational + Mirrors
2mm
Lattice parameters: a, b, = 90
The shortest lattice translation vector (a < b)
Lattice parameters: a, b, = 90
Continued
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
Rotational + Mirrors
6mm
r r
a b
5 Parallelogram Lattice
Lattice parameters: a, b, 90
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)
"
We will also answer the question for the other cases now.
4mm
Based on size the smaller blue cell (with half the area) is preferred
This is nothing but a square lattice viewed at 45!
Based on size the smaller green cell (with half the area) is preferred
Hence this is not a separate case
Based on size the smaller green cell (with half the area) is preferred
Hence this is not a separate case
Click here
3D Lattices
3D Lattices
A derivation of the 14 Bravais lattices or the existence of 7 crystal systems will not be shown in this introductory course
(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
Lattice Parameters
Cube
Cubic
Square Prism
Tetragonal
(a = b = c, = = = 90)
(a = b c, = = = 90)
Rectangular Prism
Orthorhombic
(a b c, = = = 90)
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)
a = b = c,
= = = 90
Actually this is a part of the cubic lattice remember lattices are infinite!
A General Lattice in 3D
6 lattice parameters
3 distances (a, b, c)
3 angles (, , )
a b c,
Click here to
know more
about
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)
Another
IMPORTANT point
Crystal System
1
Cubic
Tetragonal
Shape of UC
Bravais Lattices
P
Cube
Hexagonal
Trigonal
Monoclinic
Triclinic
Parallogramic Prism
Parallelepiped (general)
Primitive
Body Centred
Face Centred
A/B/C- Centred
Continued
8 Corners
= [8 (1/8)] = 1
8 Corners
+
1 body centre
8 Corners
+
6 face centres
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
4 2
3
m m
Lattice point
FF
Tetragonal
II
PP
abc
4 2 2
mmm
90
One convention
abc
II
PP
abc
90
FF
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
abc
90, 120
6 2 2
mmm
(Does
(Does itit not
not have
have an
an additional
additional atom
atom somewhere
somewhere in
in the
the middle?)
Trigonal
Rhombohedral
abc
90
2
3
m
Monoclinic
Parallogramic Prism
One convention
abc
abc
90
2
m
Triclinic
Parallelepiped (general)
abc
Click here
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
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
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
Hence the 120 Rhombus lattice always has 6-fold axes while crystals based on the lattice may have only 3-folds
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