Analysis of magnetic structures in JANA2020

. 2024 Oct 01 ; 80 (Pt 5) : 409-423. [epub] 20240919

Status PubMed-not-MEDLINE Jazyk angličtina Země Velká Británie, Anglie Médium print-electronic

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/pmid39320311

Grantová podpora
CZ.02.01.01/00/22_008/0004594 European Union
CZ.02.01.01/00/22_008/0004594 Czech Ministry of Education, Youth and Sports

JANA2020 is a program developed for the solution and refinement of regular, twinned, modulated, and composite crystal structures. In addition, JANA2020 also includes a magnetic option for solving magnetic structures from powder and single-crystal neutron diffraction data. This tool uses magnetic space and superspace symmetry to describe commensurate and incommensurate magnetic structures. The basics of the underlying formulation of magnetic structure factors and the use of magnetic symmetry for handling modulated and non-modulated magnetic structures are presented here, together with the general features of the magnetic tool. Examples of structures solved in the magnetic option of JANA2020 are given to illustrate the operation and capabilities of the program.

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