4.3 Article

FAULTS: a program for refinement of structures with extended defects

Journal

JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 49, Issue -, Pages 2259-2269

Publisher

INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600576716014473

Keywords

X-ray powder diffraction; neutron powder diffraction; diffuse scattering; refinement; stacking faults; planar defects; layered materials; FAULTS; DIFFaX; battery materials; manganese oxide

Ask authors/readers for more resources

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.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.3
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available