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MM3030 Assignment2

This document outlines 8 problems related to materials characterization and X-ray diffraction for an assignment. The problems involve determining structure factors and diffraction conditions for different crystal structures, calculating diffraction peak breadths, deriving structure factor expressions, indexing diffraction peaks, applying reciprocal lattice concepts, identifying components in a powder mixture based on diffraction data, and determining zone axes and structure factors.

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55 views

MM3030 Assignment2

This document outlines 8 problems related to materials characterization and X-ray diffraction for an assignment. The problems involve determining structure factors and diffraction conditions for different crystal structures, calculating diffraction peak breadths, deriving structure factor expressions, indexing diffraction peaks, applying reciprocal lattice concepts, identifying components in a powder mixture based on diffraction data, and determining zone axes and structure factors.

Uploaded by

khemchandkcpd
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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MM3030: Materials Characterization

Assignment 2
Date of turning in: 13
th
October
1. Find the structure factor and condition for existence of diffraction peaks from (hkl) plane
in case of a) Simple tetragonal and b) Body centred tetragonal c) Hexagonal close packed
structures.
Assuming lattice parameters a = 2.00 and c = 3.00 find the first 4 diffracting planes
(i.e. the hkl values) and their Bragg angles for Cu K radiation (=1.542)
2. Calculate the breadth B (in degrees of 2), due to the small crystal effect alone, of the
powder pattern lines of particles of diameter 1000, 750, 500, and 250. Assume = 45
and = 1.5. For particles 250 in diameter, calculate the breadth B for = 10, 45, and
80 degrees)
3. Derive simplified expressions for F
2
for the Wurtzite form of ZnS, including the rules
governing observed reflections. This crystal is hexagonal and contains 2ZnS units per
unit cell, located in the following positions:
Zn: 000, 1/3 2/3 1/2
S: 003/8, 1/3 2/3 7/8
4. The first four peaks of tungsten obtained from Cu K radiation (=1.542) is given
below.


a) Find the crystal structure of W from this
b) Index (find hkl values) the planes responsible for the peaks
c) Calculate the relative intensities of the peaks

5. Using reciprocal lattice vector definitions show the following
a) Reciprocal lattice vector G
hkl
(=ha*+kb*+lc*) is always to (hkl)
b) Family of planes (hkl) parallel to the zone axis [uvw] is given by (hu + kv + lw) = 0
6. A powder mixture gave a peaks at 2-theta values of 38.5, 44.39, 44.76, 51.73, 65.16,
76.18, 78.30, 92.67 in the XRD plot carried out using Cu K-alpha radiation ( 1.5418 ).
a) Identify the no. of components present in the powder
b) Identify the crystal structures of each component
c) Find the lattice parameter and using the values reported in literature identify
the elements present in this mixture.
7. Find the zone axis for the following planes (-110), (-311) and (-1-32). Mention 3 other
planes that belong to this zone axis.
8. AuCu has the following structure

Find the structure factor F
2
for (hkl) planes and the condition for (hkl) to diffract.

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