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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001018 Chapter 4.9 Magnetic dictionary (magCIF)
Branton Campbella, J. Manuel Perez-Matob, Václav Petříčekc, Juan Rodriguez-Carvajald and Wiesława Sikorae
aPhysics and Astronomy, Brigham Young University, N145 ESC BYU, Provo, Utah, 84602, USA, bFisica de la Materia Condensada, Univ del País Vasco, Apdo 644, Bilbao, 48080, Spain, cStructures and Bonding, Institute of Physics Academy of Sciences of the Czech Republic, Cukrovarnická 10, Praha 6, 162 53, Czech Republic, dDiffraction Group, Institut Max Von Laue - Paul Langevin ILL, Grenoble, 38042, France, and eFaculty of Physics and Applied Computer Science, AGH University of Science and Technology, PL-30-059 Krakow, Poland. The magCIF dictionary provides CIF infrastructure for the presentation of both commensurate and incommensurate magnetic structures exhibiting long-range three-dimensional magnetic order. Incommensurate magnetic structures are presented using magnetic superspace groups in a manner analogous to incommensurate non-magnetic structures. Commensurate magnetic structures can employ a Belov--Neronova--Smirnova (BNS) or an Opechowski--Guccione (OG) setting, an arbitrary non-standard setting, or an incommensurate (wave) description in an appropriate magnetic-superspace-group setting. Data names are defined to allow all of these representations. Keywords: crystallography; CIF; CIF dictionaries; Crystallographic Information Framework; magCIF; magnetic structures Crystallographic Information File; data names; data categories; DDLm. |
This chapter is in preparation
