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3 Solid State Chemistry Lecture 3

The document discusses Miller Indices, which are used to describe crystal planes, and provides examples of calculating these indices for specific crystal axes. It also covers the concept of Atomic Packing Factor (APF) and its significance in crystallography, detailing different types of crystal structures such as simple cubic, body-centered cubic, face-centered cubic, and hexagonal close-packed. The document includes formulas and geometric relationships relevant to these structures.

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Dilshan Narankotuwa
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15 views14 pages

3 Solid State Chemistry Lecture 3

The document discusses Miller Indices, which are used to describe crystal planes, and provides examples of calculating these indices for specific crystal axes. It also covers the concept of Atomic Packing Factor (APF) and its significance in crystallography, detailing different types of crystal structures such as simple cubic, body-centered cubic, face-centered cubic, and hexagonal close-packed. The document includes formulas and geometric relationships relevant to these structures.

Uploaded by

Dilshan Narankotuwa
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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12/4/24

Solid State Chemistry

Miller Indices for Planes


• Miller Indices are the reciprocals of the parameters of each crystal face. Thus:
• Pink Face
= (1/1, 1/∞, 1/∞) = (100)
• Green Face
= (1/∞, 1/∞, 1/1) = (001)
• Yellow Face
= (1/∞, 1/1, 1/∞) = (010)

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Problem 1:

Calculate the Miller indices of Crystal planes which cut through the
crystal axes at (2a,3b,c)?

2. Calculate the Miller indices of Crystal planes which cut through the
crystal axes at (2a,-3b,-3c)?

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Miller index?

d-Spacing Formulae

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ABC
A

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M = molar mass
NA = Avogadro’s number

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Atomic packing factor


• In crystallography, atomic packing factor (APF), packing efficiency, or packing
fraction is the fraction of volume in a crystal structure that is occupied by
constituent particles.
• It is a dimensionless quantity and always less than unity. In atomic systems, by
convention, the APF is determined by assuming that atoms are rigid spheres.
• The radius of the spheres is taken to be the maximum value such that the atoms
do not overlap.
• For one-component crystals (those that contain only one type of particle), the
packing fraction is represented mathematically by

Nparticle is the number of particles in the unit cell


Vparticle is the volume of each particle
Vunit cell is the volume occupied by the unit cell

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Simple cubic
For a simple cubic packing, the number of
atoms per unit cell is one. The side of the
unit cell is of length 2r, where r is the radius
of the atom.

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Body-centered cubic
Each corner atom touches the center
atom. A line that is drawn from one
corner of the cube through the center
and to the other corner passes
through 4r, where r is the radius of an
atom. By geometry, the length of the
diagonal is a√3. Therefore, the length
of each side of the BCC structure can
be related to the radius of the atom by

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Face-centered cubic
For a face-centered cubic unit cell, the
number of atoms is four. A line can be
drawn from the top corner of a cube
diagonally to the bottom corner on the
same side of the cube, which is equal to 4r.
Using geometry, and the side length, a can
be related to r as:

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Hexagonal close-packed
Here the unit cell (equivalent to 3 primitive
unit cells) is a hexagonal prism containing
six atoms (if the particles in the crystal are
atoms).
Indeed, three are the atoms in the middle
layer (inside the prism); in addition, for the
top and bottom layers (on the bases of the
prism), the central atom is shared with the
adjacent cell, and each of the six atoms at
the vertices is shared with other six adjacent
cells.

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Hexagonal close-packed

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