computer programs
The FAULTS program is a powerful tool for the refinement of diffraction patterns of materials with planar defects. A new release of the FAULTS program is herein presented, together with a number of new capabilities, aimed at improving the refinement process and evolving towards a more user-friendly approach. These include the possibility to refine multiple sets of single-crystal profiles of diffuse streaks, the visualization of the model structures, the possibility to add the diffracted intensities from secondary phases as background and the new DIFFaX2FAULTS converter, among others. Three examples related to battery materials are shown to illustrate the capabilities of the program.
Keywords: X-ray powder diffraction; neutron powder diffraction; diffuse scattering; refinement; stacking faults; planar defects; layered materials; FAULTS; DIFFaX; battery materials; manganese oxide.
Supporting information
Portable Document Format (PDF) file https://doi.org/10.1107/S1600576716014473/kc5049sup1.pdf | |
Text file https://doi.org/10.1107/S1600576716014473/kc5049sup2.txt | |
Text file https://doi.org/10.1107/S1600576716014473/kc5049sup3.txt | |
Text file https://doi.org/10.1107/S1600576716014473/kc5049sup4.txt |