CifImport

CifImport imports a Crystallographic Information File (CIF). It also applies the symmetry operations of the crystal structure to the atoms in the file in order to construct the complete crystal structure.

Last updated February 6, 2016 Import CIF crystallography History Delete Edit Link

MaXrd

A comprehensive Mathematica package for crystallographic computations, MaXrd, has been developed. It comprises space group representations based on International Tables for Crystallography, volume A together with scattering factors from XOP and cross sections from xraylib. Featured functionalities include calculation of structure factors, linear absorption coefficients and crystallographic transformations. The crystal data used by MaXrd is normally generated from external cif files.

Last updated March 23, 2019 physics crystallography data History Delete Edit Link