Crystal Systems

The space lattice points in a crystal are occupied by atoms.

The position of any atom in the 3D lattice can be described by a vector ruvw =
ua + vb + wc, where u, v and w are integers.

(a) (b)

Unit Cell
The three unit vectors, a, b, c can define a cell as shown by the shaded region
in Fig.(a) This cell is known as unit cell (Fig. b) which when repeated in the three
dimensions generates the crystal structure.
 Crystal Systems
Bravais Lattice

The unit vectors a, b and c are called lattice parameters. Based on their length
equality or inequality and their orientation (the angles between them, ,  and
) a total of 7 crystal systems can be defined.

German physicist M. L. Frankenheim proposed 15 space lattices in 1835

French physicist Aguste Bravais corrected it to 14 in 1848 – 14 Bravais
lattice considering face, base and body centering.
 14 Bravais Lattices
Crystal System Unit cell Bravais Lattice

1 Cubic a = b = c,  =  =  = 90 P I F
2 Tetragonal a = b  c,  =  =  = 90 P I
3 Orthorhombic a  b  c,  =  =  = 90 P I F C
4 Hexagonal a = b  c,  =  90,  = 120 P
5 Trigonal or a = b = c,  =  =   90 P
Rhombohedral
6 Monoclinic a  b  c,  =  = 90,   90 P C
7 Triclinic a  b  c,      P
 Crystal Systems
Cubic: a = b = c,  =  =  = 90o

Simple Body-centered Face-centered

cubic cubic (BCC) cubic (FCC)

Tetragonal: a = b  c,  =  =  = 90o

Simple Body-centered
Tetragonal Tetragonal (BCT)
 Crystal Systems
Orthorhombic: a  b  c,  =  =  = 90o

Simple Body-centered Base-centered Face-centered

Monoclinic: a  b  c,  =  = 90o  

Simple Base-centered
monoclinic monoclinic
 Crystal Systems

Triclinic
Rhombohedral Hexagonal
abc
a=b=c a=bc
 =  =   90o  =  = 90  = 120
o o       90 o
 Crystal Systems

Crystal system Example

Triclinic K2S2O8,K2Cr2O7
Monoclinic As4S4, KNO2,CaSO4.2H2O, b-S
Rhombohedral Hg, Sb, As, Bi, CaCO3
Hexagonal Zn, Co, Cd, Mg, Zr, NiAs
Orthorhombic Ga, Fe3C, a-S
Tetragonal In, TiO2 , b-Sn
Cubic Au, Si, Al, Cu, Ag, Fe, NaCl
The Curious Case Of Missing
Bravais Lattice
 Crystal System Unit cell Bravais Lattice
1 Cubic a = b = c,  =  =  = 90 P I F
2 Tetragonal a = b  c,  =  =  = 90 P I
3 Orthorhombic a  b  c,  =  =  = 90 P I F C
4 Hexagonal a = b  c,  =  90,  = 120 P

5 Trigonal or a = b = c,  =  =   90 P
Rhombohedral
6 Monoclinic a  b  c,  =  = 90,   90 P C

7 Triclinic a  b  c,      P

Why no Cubic-C?
The Curious Case Of Missing
Bravais Lattice
Symmetry
Translation
 Translation

Translation is the defining

symmetry of the crystal
 Rotation
An n-fold rotation symmetry means rotation through an angle of 2/n will repeat the
object or motif n times in a full 360o rotation.
1-Fold Rotation Axis - An object that
requires rotation of a full 360o to repeat
itself has no rotational symmetry.

2-fold Rotation Axis - If an object appears identical after a rotation of 180 o,

that is twice in a 360o rotation, then it is said to have a 2-fold (2/180)
rotation symmetry

2 2 2
 Rotation
Similarly we have 3, 4 and 6-fold rotational symmetry

3 fold – 2/120

4 fold – 2/90

6 fold – 2/60
 Crystallographic Restriction
Theorem
T = T cos + pT + T cos = pT +2T cos
T T
cos  = (1 – p)/2
 
p  n-fold Symbol Name
pT
Tcos Tcos
0 60 6 Hexad
T 1 90 4 Tetrad
2 120 3 Triad
3 180 2 Diad
-1 0/360 1

By virtue of their translation symmetry crystals can have only 1, 2, 3, 4, and

6-fold rotation symmetry. 5 and higher than 6 are not allowed as they are not
compatible with translation symmetry.
 Rotation
5, 7 or higher-fold rotation symmetry not possible
Such shapes cannot fill the space completely

5 fold
8 fold
 Inversion – Center of
symmetry
In this operation, every part of the object is reflected through an inversion center
called center of symmetry which is denoted as i. The object is reproduced
inverted from its original position.

Mirror plane
Thumb-to-thumb line passes through a centre of symmetry
 Inversion – Center of
symmetry
In this operation, every part of the object is reflected through an inversion center
called center of symmetry which is denoted as i. The object is reproduced
inverted from its original position.

1 4

2 5
6 i 3
i i
3 6
5 2

4 1
i
xyz  -x -y -z (xyz)
 Combined operations
Combined symmetry operations also exist. For example, rotation can be combined
with inversion which is called roto-inversion (Inversion axis). The roto-inversion
axis is denoted as n. For example, a 4-fold roto-inversion (4 ) involves rotating the
object by 90o (360/4) and inverting through a symmetry center.

Tetrahedron has a 4-fold roto-inversion axis or Inversion Tetrad axis

Roto-Inversion (Inversion
axis)

90
i

A rotation by 90 followed by inversion through the centre of

symmetry.
 Roto-Inversion (Inversion
axis)
There are other types of inversion axes as shown in the table below.

Inversion Axis Symbol Equivalence

Inversion Monad 1 centre of symmetry

Inversion Diad 2 perpendicular mirror

plane
Inversion Triad 3 triad plus a centre of
symmetry
Inversion Hexad 6 triad plus a
perpendicular mirror
plane
 180o

2-fold
2-fold roto-inversion is
Rotation
equivalent to a perpendicular
mirror plane

Mirror
plane Inversion
 Space group
 Includes both Translation and point symmetry elements.

 14 Bravais lattices: 230 possible combinations giving rise to 230 Space

groups.

 Glide plane: Reflection + Translation

 Screw axis: Rotation + Translation

 Glide plane
Glide plane: Reflection across a mirror plane plus translation by half the repeat
distance along the plane.
a
a, b, c  translation along
x, y, z axis
t t = a/2 n or d  translation along
diagonals
 Screw Axis
 Rotation plus translation by fraction of repeat distance along the axis.
 An nm screw axis mean n-fold rotation plus translation by m/n of repeat
distance, e.g., 41 = 4-fold (90) rotation and translation by 1/4th of lattice
repeat distance.

a
 Crystal Habit
Habit or external form in which crystals develop is not necessarily same as
the shape of the unit cell.