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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
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)
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
2rO 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
3
rLi rO 2 a
4
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