Unit Cell: The smallest portion of a crystal lattice is called Unit Cell.

By repeating in different directions unit cell generates the entire lattice.

Parameters of a unit cell:

•A unit cell is characterized by six parameters. These
parameters are three edges (a, b and c) and angles
between them (α, β and γ).

If a crystal has symmetry, the unit cell

must have at least that much symmetry

Crystal Lattice
• Rotational
• Mirror Plane
• Inversion
• Roto-inversion
• Glide plane
• Screw axis
Rotational Symmetry
 Cube rotational symmetry

[Link]
1. Cubic Crystals
a = b= c
 =  =  = 90º

Orientation of property axes

orthogonal set (Z1, Z2, Z3)

• Simple Cubic (P) - SC

• Body Centred Cubic (I) – BCC
• Face Centred Cubic (F) - FCC

 Elements with Cubic structure → SC: F, O, Po

BCC: Cr, Fe, Nb, K, W, V
Note: here SC, BCC & FCC are lattices
FCC: Al, Ar, Pb, Ni, Pd, Pt, Ge
 2. Tetragonal Crystals
a=bc
 =  =  = 90º  Elements with Tetragonal structure → In, Sn

• Simple Tetragonal
• Body Centred Tetragonal -BCT

3. Orthorhombic Crystals
abc
 =  =  = 90º
Usual convention

cab
• Simple Orthorhombic
• Body Centred Orthorhombic
• Face Centred Orthorhombic  Elements with Orthorhombic structure → Br, Cl, Ga, I, S, U
• End Centred Orthorhombic
(note: the only lattice with all possibilities present)
4. Hexagonal Crystals
a=bc
 =  = 90º  = 120º

• Simple Hexagonal
(note: there is only one type of
hexagonal lattice)

Orientation of property axes

orthogonal set (Z1, Z2, Z3)
 Note that the unit cell is not the hexagonal prism, but the blue shaded rhombic prism. This
unit cell does not have the hexagonal symmetry and hence we often show a compound of 3
unit cells (as above), which has 6-fold symmetry.

 Elements with Hexagonal structure → Be, Cd, Co, Ti, Zn

5. Trigonal/Rhombohedral Crystals
a=b=c
 =  =   90º
 Elements with Trigonal structure → As, B, Bi, Hg, Sb, Sm
• Rhombohedral (simple)

6. Monoclinic Crystals
abc
 =  = 90º    Elements with Monoclinic structure → P, Pu

• Simple Monoclinic
• End Centred (base centered)
Monoclinic (A/C)
7. Triclinic Crystals
abc
  

• Simple Triclinic
Bravais Lattices
 Rotational Symmetries of the 7 crystal systems?
 Minimum symmetry of the 7 crystals systems are listed in the table below.
 As an example: cubic crystals have four 3-fold axes (at least), while a trigonal crystal has
only one 3-fold axis (but can have other symmetries). Tetragonal crystals have one 4-fold
axis at least (but cannot have three 4-fold axes).
The characteristic symmetry refers to the minimum symmetry
that needs to be present.

Characteristic symmetry
Cubic Four 3-fold rotation axes We have stated that basis of definition of
(two will generate the other two) crystals is ‘symmetry’ and hence the
Hexagonal One 6-fold rotation axis classification of crystals is also based on
(or roto-inversion axis) symmetry.
Tetragonal (Only) One 4-fold rotation axis The essence of the required symmetry is
(or roto-inversion axis) listed in the table
Trigonal (Only) One 3-fold rotation axis  more symmetries may be part of the
(or roto-inversion axis) point group in an actual crystal.
Orthorhombic (Only) Three  2-fold rotation axes
(or roto-inversion axis) Note that the symmetry being considered is the
point group symmetry. The translational
Monoclinic (Only) One 2-fold rotation axis
components are ‘dropped’ while noting the
(or roto-inversion axis)
symmetry. E.g. 63 screw axis is written as a ‘6’.
Triclinic None

Note: translational symmetry is always present in crystals (i.e. even in triclinic crystal)
 Ordering the 7 Crystal Systems: Based on Symmetry

Progressive increase in symmetry amongst the 7 crystal systems

Characteristic symmetry
Cubic
Cubic Four 3-fold rotation axes
Hexagonal (two will generate the other two)
Hexagonal One 6-fold rotation axis
Increasing symmetry

Tetragonal (or roto-inversion axis)

Tetragonal (Only) One 4-fold rotation axis
Trigonal
(or roto-inversion axis)
Trigonal (Only) One 3-fold rotation axis
Orthorhombic
(or roto-inversion axis)
Orthorhombic (Only) Three  2-fold rotation axes
Monoclinic
(or roto-inversion axis)
Monoclinic (Only) One 2-fold rotation axis
Triclinic (or roto-inversion axis)
Triclinic None
14 Bravais Lattices divided into 7 Crystal Systems

A Symmetry based concept

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 Parallelepiped (Equilateral, Equiangular) 
6 Monoclinic Parallogramic Prism  
7 Triclinic Parallelepiped (general) 

P Primitive
Why are some of the entries missing? I Body Centred
 Why is there no C-centred cubic lattice?
 Why is the F-centred tetragonal lattice missing? F Face Centred
 ….? C A/B/C- Centred
Mystery of Missing Entries
 Mystery of the missing entries in the Bravais List! What we choose
P I F C
1 Cubic Cube    

UC-1

But then Cubic crystals need not have any 4-fold axes!!
Hence Cannot be called Cubic (cubic lattices do need to have!)

Hence even though this lattice remains as it is  it is called Simple Tetragonal lattice
(which is smaller in size)
 Note that this simple tetragonal
cell has a specific c/a ratio of (2)
(while in general simple tetragonal
cells can have any c/a ratio).
 Actually UC-1 (above) is a C-
centred tetragonal cell!
Mystery of the missing entries in the Bravais List! What we choose
P I F C
2 Tetragonal Square Prism (general height)   

Smaller sized Body Centred Cell is chosen

FCT = BCT
Face Centred Tetragonal = Body Centred Tetragonal
Mystery of the missing entries in the Bravais List! What we choose
P I F C
2 Tetragonal Square Prism (general height)   

Smaller sized Simple Cell is chosen

CCT = ST
C Centred Tetragonal = Simple Tetragonal
Mystery of the missing entries in the Bravais List!
P I F C
4 Hexagonal 120 Rhombic Prism  

Body Centred Orthorhombic

Putting a lattice point at face centres

destroys the 6-fold axis
 Continued…
In fact not even the 3-fold
survives and the lattice type is
Body Centred Orthorhombic

Note: there is no remnant 3-fold either (if there were one then
A B C, but there is no lattice point at C (at z = ½)).

Not all lattice points are shown

BCO unit cell

 Mystery of the missing entries in the Bravais List! P I F C
4 Hexagonal 120 Rhombic Prism  

Simple Orthorhombic
Putting a lattice point at
body centre
destroys the 6-fold axis

In fact not even the 3-fold

survives and the lattice type is
Simple Orthorhombic

Note: there is no remnant 3-fold either (if there were one then
A B, but there is no lattice point at C (at z = 0)).