Lecture‐7 highlights

MM 201

Factors affecting Intensity of a reflection

 Factors affecting the relative intensity of the diffraction line (of powder method) are:
o Structure factor,
o Lorentz-polarization factor (LP factor)
o Multiplicity factor,
o Temperature factor
o Absorption factor

 LP factor = , plot of LP factor v/s θ decreases first upto 450 and then
increases. The overall effect of this factor is to decrease the intensity of reflection at
intermediate angles compared to those in forward or backward directions.

 Multiplicity factor, may be defined as the number of the different planes in a form
having the same spacing.
- as λ = 2 d sin and
- = (only for unit cell having α=β=γ=900 ; i.e. for cubic

(a=b=c), tetragonal (a=b≠c), and orthorhombic (a≠b≠c))

- So for cubic, = 6 for {100} (i.e. set of plane Ι00,0Ι0,00Ι,Ī00,0Ī0,00Ī )
= 8 for {111} (i.e. III, ΙΙĪ, ΙĪΙ, ĪΙΙ,ΙĪ Ī , ĪΙĪ, Ī ĪΙ, Ī Ī Ī )
= 12 for {110}
= 48 for{hkl} (where h≠k≠l≠0)
and for tetragonal, = 16 for{hkl} (where h≠k≠l≠0)
- An observation: Below 1200C intensity line of BaTiO3 splits into two closely
spaced line and with lowered intensity w.r.t. as it was at high temperature.
Explanation: At high temperature BaTiO3 is in cubic (a=b=c) form while below
1200C it changes to tetragonal form, where one axis is distorted (a=b<c). The
splitting of intensity line is essentially due to the introduction of new plane
spacings (d ), caused by increase in the lattice parameter, c. For example, in
the cubic cell, the (100), (010), and (001) planes all have the same spacing and
only one line is formed, called 100 line, but this line splits into two when the cell
becomes tetragonal, since now the (001) plane spacing differs from others two.
(for slightly different d , equation λ = 2 d sin is satisfied for slightly
different θ, means different position of intensity line, as λ is the same.)
 And the intensity is lowered because now less number of the planes are
contributing to the intensity line.

 Temperature Factor = where = (sinθ⁄λ) and B is taken as constant here.

- Thermal vibration of atom about the mean position, decreases the electron
density and results in sharp plot of atomic scattering factor, .
- Thus the intensity of a diffracted beam decreases as the temperature is raised,
and for a constant temperature, thermal vibration causes a greater decrease in
the reflected intensity at high angle than at low angles. ( one reason among
various others for low intensity at high angle)

 Intensity for powder pattern lines-

+
=∣ ∣ . .

↓ ↓ ↓ ↓
Str. Factor LP factor multiplicity temp. factor
factor