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CRYSTAL STRUCTURE
&
X-RAY DIFFRACTION
Classification of Matter
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Solids
Crystalline
Non-Crystalline (Amorphous)
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Examples !
• Non-Metallic crystals:
Ice, Carbon, Diamond, Nacl, Kcl
etc…
• Metallic Crystals:
Copper, Silver, Aluminium, Tungsten,
Magnesium etc…
Crystalline Solid
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Single crystal
Amorphous Solid
• Amorphous (Non-crystalline) Solid is
composed of randomly orientated atoms ,
ions, or molecules that do not form
defined patterns or lattice structures.
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Non-crystalline
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surroundings to O x
a A
all others.
• Arrays are
arranged exactly
in a periodic
manner.
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Unit Cell
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S
S
S S
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Primitive cell
• The unit cell formed by the primitives a,b
and c is called primitive cell. A primitive
cell will have only one lattice point. If
there are two are more lattice points it is
not considered as a primitive cell.
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Crystal systems
Table-1
Crystal system Unit vector Angles
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Bravais lattices
• In 1850,
1850 MM. A.
A Bravais showed that
identical points can be arranged
spatially to produce 14 types of regular
pattern. These 14 space lattices are
known as ‘Bravais
Bravais lattices
lattices’.
14 Bravais lattices
S.No Crystal Type Bravais Symbol
lattices
1 Cubic Simple P
2 Body I
centred
3 Face F
centred
4 Tetragonal Simple P
5 B d
Body I
centred
6 Orthorhombic Simple P
7 Base C
centred
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8 Body I
centred
9 Face F
centred
10 Monoclinic Simple P
11 Base C
centred
12 T i li i
Triclinic Si
Simple
l P
13 Trigonal Simple P
14 Hexgonal Simple P
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Coordination Number
• Coordination Number (CN) : The Bravais
lattice points closest to a given point are
the nearest neighbours.
• Because the Bravais lattice is periodic, all
points have the same number of nearest
neighbours or coordination number. It is a
property of the lattice.
lattice
• A simple cubic has coordination number 6;
a body-centered cubic lattice, 8; and a face-
centered cubic lattice,12.
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b
c
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2 (0,433a)
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FCC
0.74
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HEXAGONAL SYSTEM
A crystal system in which three equal coplanar axes
intersect at an angle of 60,60 and a perpendicular to
the others, is of a different length.
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ORTHORHOMBIC SYSTEM
TETRAGONAL SYSTEM
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Crystal Directions
• We choose one lattice point on the line as an origin, say
the point O. Choice of origin is completely arbitrary, since
every lattice point is identical.
R = la + mb + nc
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210
X=1,Y=½,Z=0
[1 ½ 0] [2 1 0]
Negative directions
• When we write the
direction [n1n2n3]
depend on the origin,
negative directions can
be written as
• R=la+mb+nc
• Direction must be
smallest integers.
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X = 1 , Y = 0 , Z = 0 ► [1 0 0]
Crystal Planes
• Within a crystal lattice it is possible to identify sets
of equallyy spaced parallel planes. These are called
lattice planes.
• In the figure density of lattice points on each plane
of a set is the same and all lattice points are
contained on each set of planes.
b b
a a
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Miller Indices
Miller Indices are a symbolic vector representation for the
orientation of an atomic plane in a crystal lattice and are
defined as the reciprocals of the fractional intercepts which
the plane makes with the crystallographic axes.
axes
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IMPORTANT HINTS:
• When a plane is parallel to any
axis the intercept of the plane
axis,the
on that axis is infinity.So,the
Miller index for that axis is Zero
• A bar is put on the Miller index
when the intercept of a plane on
any axis is negative
• The normal drawn to a plane
(h,k,l) gives the direction [h,k,l]
Example-1
(1,0,0)
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Example-2
(0,1,0)
(1,0,0)
Example-3
(0,0,1)
(0,1,0)
(1,0,0)
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Example-4
(0 1 0)
(0,1,0)
(1/2, 0, 0)
Miller Indices
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a
d hkl = 22 2
+
h k l+
Where dhkl = inter-planar
Wh i t l spacing
i between
b t planes
l with
ith Miller
Mill
indices h, k and l.
a = lattice constant (edge of the cube)
h, k, l = Miller indices of cubic planes being considered.
X-Ray diffraction
• X-ray crystallography, also called X-ray
diffraction, is used to determine crystal
structures by interpreting the diffraction
patterns formed when X-rays are scattered
by the electrons of atoms in crystalline
solids. X
X-rays
rays are sent through a crystal to
reveal the pattern in which the molecules
and atoms contained within the crystal are
arranged.
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X-Ray Diffraction
Bragg’s Law : 2dsinΘ = nλ
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