Determining magnetic structures in <i>GSAS-II</i> using the Bilbao Crystallographic Server tool <i>k-SUBGROUPSMAG</i>
The embedded call to a special version of the web-based Bilbao Crystallographic Server tool k-SUBGROUPSMAG from within GSAS-II to form a list of all possible commensurate magnetic subgroups of a parent magnetic grey group is described. It facilitates the selection and refinement of the best commensurate magnetic structure model by having all the analysis tools including Rietveld refinement in one place as part of GSAS-II. It also provides the chosen magnetic space group as one of the 1421 possible standard Belov-Neronova-Smirnova forms or equivalent non-standard versions.
Authors
- R. B. Von Dreele (ORCID: https://orcid.org/0000-0002-5339-0634)
- Luis Elcoro (ORCID: https://orcid.org/0000-0002-5427-0984)
Institutions
- Argonne National Laboratory (US)
- University of the Basque Country (ES)
Publication Details
- Journal
- Acta Crystallographica Section B Structural Science Crystal Engineering and Materials
- Published
- 2024-09-20
- DOI
- https://doi.org/10.1107/s2052520624008436
- Citations
- 3
- Primary Topic
- High-pressure geophysics and materials
- Type
- article
- Field-Weighted Citation Impact
- 1.60
Funders
- U.S. Department of Energy
- National Institute of Standards and Technology
- Office of Science
- Argonne National Laboratory