Lecture 3

Crystallography:
Ceramics structures

Dr Anshuman Dalvi
Physics, BITS Pilani
 Ceramics
 All non metals and oxides by
definition.
 AX, AmBp, AmBnXp
 Silicates
 Rock salt (NaCl type) structure
 Atomic arrangement

3
NaCl structure
 Na+ and Cl-
both form
FCC
structure.
 This is one
unit cell for
NaCl
molecule

4
 No of atoms in unit cell = 8
 No of molecule in unit cell = 4
 Total lattice parameter = 2(rna++rCl-)
 Number of nearest neighbours = 6

5
Each Na and Cl ion sits at
octahedral sites
 No of
octahedral
sites = 4
number of
anions in
unit cell 4

6
What is the atomic packing factor
for NaCl?

7
What is the density of NaCl

8
 Cesium Chloride structure

 Lattice is simple cubic, basis is BCC

9
CsCl
 Find the
lattice
parameter
 Find the
atomic
packing
fraction
 Find the
density
10
 Zinc Sulphide
 Zn at 1/41/41/4)
(3/43/41/4)

Tetrahedral site

11
 CuCl (ZnS type)

 Other examples: SiC etc.

12
Calculate APF for ZnS

13
Calculate the density for ZnS

14
 Calcium fluoride
 Alternate tetrahedral positions occupied by
Ca++ ions.
 Total 4 Ca++
 8 F-

15
 Calcium fluoride
 All the tetrahedral sites are occupied by F-
ions
 ZrO2 also exhibits
this structure
UO2, CeO2, ThO2

16
Findout the lattice parameter for
CaF2
 atoms at 000
and1/41/41/4 touch
each other.

17
 Calculate density of CaF2
 Calculate the lattice parameter = 5.38 nm
 Density = 3.33 g/cm3

18
 Perovskite structure
 Bigger cation
occupies
corners
 Smaller cation
at center of the
cube
 Oxygen ion at
faces.
19
Perovskite

20
 Calculate the lattice parameter
for BaTiO3
 Nearest
neighbours are O-2
and Ti+4

2rO 2  rTi 4 

21
Calculate the atomic packing
factor for BaTiO3

22
 Anti-fluoride (K2O) type
structure
 No of cations = 2 number of anions
 Li2O, Na2O also follow
 cation sits on all the tetrahedral sites
 Anion forms a FCC structure

23
 Fluorite and antifluorite

 If cation begins the structure

24
 Calculate the lattice parameter
for Li2O
 Ionic radii O-2 = 0.132 nm Li = 0.068 nm

3
rLi   rO 2  a
4

 Find the density = 2.03 g/cm3

25
Find the planar density for 110
plane of NaCl

26
 Carbon
 Exists in various polymorphic forms and
amorphous state.
 Graphite is some times classified as ceramic

27
 Diamond
 Crystal structure is similar to ZnS
 All the bonds are totally covelent
 Each carbon bonded with four carbons
 Normally, group IVA elements (Ge, Si) do
follow such structure.
 It is hardest known material
 Very low electrical conductivity
 High band gap

28
 Find the
packing
fraction for
diamond
 Find the density

29
 Graphite
 Distinctly different structure than diamond
 Layers of hexagonally arranged carbon
atoms
 In each layer, one C is bonded with three
coplanar C atoms by strong covalent bonds.
 Fourth electron is used in a weak van der
waal bonding between the layers.

30
 Electrical
conductivity is higher
in the directions
parallel to planes.
 Inter planar cleavage
is possible.
 Also used as self
lubrication material.

31
32
 Fullerene (C60)
 Spherical cluster of 60 carbon atoms
 20 Hexagon and 12 pentagon configuration, no
two pentagons are close

In the solid state, C60 units will arrange in FCC

structure
 C60
 Electrically insulating
 Can be made semi conducting after doping
 CNTs (carbon nanotubes)
 L/d ~ 104
 Size ~ 50,000
times smaller
than human
hair