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Crystal Structure
SOLID MATERIALS
AMORPHOUS
CRYSTALLINE POLYCRYSTALLINE
(Non-crystalline)
Single Crystal
Single Pyrite
Crystal
Amorphous
Solid
Single Crystals
Disclaimer: The above material is purely for teaching
purpose only
SINGLE CRYSTALS
A garnet single crystal that was found in Tongbei, Fujian Province, China
Polycrystalline
Pyrite form
(Grain)
Quartz Glass-Silicate
Crystalline solids
Crystalline solids, in general are anisotrophic (It means that, their properties
such as electrical conductivity, refractive index, thermal expansion etc. will
be different directions).
Amorphous solids
Amorphous solids do not have a sharp melting point; they are softened
in a range of temperature.
Less rigid.
y
An infinite array of points in
space, B C D E
b α
Primitive
cell
Primitive
cell
Primitive
cell
Primitive
cell
Double
Triple
Disclaimer: The above material is purely for teaching purpose
Symmetry of the Lattice or the crystal is not altered by our choice of unit cell!!
only
Hypothetical case that two-dimensional (2D) crystals
of NaCl could form
(a) Section through the NaCl structure, showing (b) to (e) possible repeat units and
(f) incorrect units. Disclaimer: The above material is purely for teaching purpose
only
Unit Cell in 2D
Every primitive cell is a unit cell but the reverse may not be true.
Disclaimer: The above material is purely for teaching purpose
only
Sodium Chloride Structure
3 Bravais lattices
Rhombohedral
SYMMETRY OPERATOR
360 0
n
(a) Two-, three-, and fourfold axes and (b, c) mirror planes of a cube.
We have seen earlier that the crystalline solids show only 1,2,3,4
and 6-fold axes of symmetry and not 5-fold axis of symmetry or
symmetry axis higher than 6.
Packing of objects displaying 5- and 8-fold symmetry. Note that they do not fill completely
space and therefore they are not compatible with crystals.
𝟑𝟔𝟎𝒐
𝜶=
𝒏
We will get the line with blue circles. similarly, applying the reverse rotation, -α
we will get the line of red circles.
Any distance between blue and red circles must be equal to an integral multiple
of the lattice translation (t): m.t, m'.t, etc., where m is an integer.
Disclaimer: The above material is purely for teaching purpose
only
Why 5-fold symmetry is not possible in crystal system?
In the isosceles triangle
cos α = m / 2
m -2 -1 0 1 2
n 2 3 4 6 1
PF = Packing fraction
+ + =
A B C FCC
A
A
C
B
C
B
Octahedral holes
Tetrahedral holes
+ + =
A B A HCP
The C position is vacant and we can pass a line
through this position without intersecting any
atoms.
• A hexagonal lattice decorated with a two atom/ion motif (at (0,0,0), (⅔, ⅓,½)) gives rise to
the HCP structure In this ideal structure with spherical motifs the c/a ratio is ~1.632.
• Real HCP crystal often (mostly!) have c/a ratios differing from this ideal value. Only Mg
comes close .
Disclaimer: The above material is purely for teaching purpose
only
Hexagonal Close Packed Structure
Question: For the HCP crystal structure, show that the ideal c/a ratio is 1.633 ?
The atom at point M is midway between the top and bottom faces of the unit cell
MH = c/2
Since atoms at J, K and L positions are touching each other
Disclaimer: The above material is purely for teaching purpose
JM = MK = JK = 2R = a only Where R is the atomic radius
Hexagonal Close Packed Structure
The unit cell volume is the product of the base area times the cell height, c
graphite
A unit cell for the
diamond cubic
crystal structure
Fullerenes
(C60 molecule)
2. A metallic element exists in a cubic lattice. Each side of the unit cell
is 2.88 Å. The density of the metal is 7.20 gm/cm3. How many unit
cells will be there in 100gm of the metal?
Mass 0.1
Volume of 100gm of the metal =
Density 7.2 103
= 1.39 × 10-5m3
= 5.8 × 1023
Disclaimer: The above material is purely for teaching purpose
only