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Supercell refinement: a cautionary tale

Theoretically, crystals with supercells exist at a unique crossroads where they can be considered as either a large unit cell with closely spaced reflections in reciprocal space or a higher dimensional superspace with a modulation that is commensurate with the supercell. In the latter case, the stru...

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Detalles Bibliográficos
Autores principales: Lovelace, Jeffrey, Petrícek, Václav, Murshudov, Garib, Borgstahl, Gloria E. O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6719663/
https://www.ncbi.nlm.nih.gov/pubmed/31478908
http://dx.doi.org/10.1107/S2059798319011082