Introduction to Crystallography and X-Ray Diffraction
Homework 1 question sheet (Deadline: September 10, 2025)
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Total 105%
Problem 1(30%). Please create the lattice of CdS from the database of CaRIne
software and list the corresponding lattice parameters, four Cd atomic positions, and
four S atomic positions (x, y, and z)(30%).
Problem 2(50%). Please create a Bi simple cubic lattice (with the Bi radius of 1.63Å
and the a=b=c= 3.8Å) and draw the A, B, C, I and F centering lattices using Bi lattice
(50%).
Problem 3(25%). To create the lattice of SrTiO3 using the following details: (i) (Sr2+ (0
0 0), Ti4+ (1/2 1/2 1/2) and O2- (0 1/2 1/2) O2-(1/2 0 1/2) and O2- (1/2 1/2 0)) and (ii)
the lattice parameters of a=b=c=3.905 Å and α=β=γ=90o (20%). Please determine
whether SrTiO3 is simple, body-center, or face-center cubic structure (5%).