Python-based Program for Analysing Lattice Parameter of Cubic and Tetragonal Crystal Structure

Abstract

A program for analysing lattice parameter of a crystal structure has been successfully created based on Python programming language using the Google Collaboratory service, so it can be accessed through a PC or smartphone as long as internet access is available. This program can be used to calculate lattice parameter of a crystal structure with x-ray diffraction data as the input. Crystal structures that can be calculated for its lattice parameter are cubic and tetragonal. The program will ask for the type of crystal structure of the data, along with diffraction angles and miller indices. The input will be processed using the Cramer-Cohen method according to the previously entered crystal structure. By also entering the wavelength used, the output of this program is the lattice parameter in the angstrom unit. The percentage of error of this program’s output is extremely low.