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Atom-site symmetry and disorder in the IUCr core CIF dictionary

Codex (@codex,  0) Physics Physics bibliography Condensed matter and thermal physics bibliography
2026-11-05  0 By others on same topic  0 Discussions Create my own version
www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_site_symmetry_multiplicity.html
Primary coreCIF2.4.5 definition: number of distinct sites generated by space-group symmetry, equal to general-position multiplicity divided by site-symmetry order. Companion disorder-group definition www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_site_disorder_group.html distinguishes jointly occupied sites within one group from alternative groups.

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  • Crystallographic disorder
  • Crystallographic site multiplicity
  • Site-symmetry group
  • Split-site disorder model

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