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Bond softness sensitive bond-valence parameters for crystal structure plausibility tests

Based on a description of bond valence as a function of valence electron density, a systematic bond softness sensitive approach to determine bond-valence parameters and related quantities such as coordination numbers is elaborated and applied to determine bond-valence parameters for 706 cation–anion...

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Detalles Bibliográficos
Autores principales: Chen, Haomin, Adams, Stefan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5619853/
https://www.ncbi.nlm.nih.gov/pubmed/28989717
http://dx.doi.org/10.1107/S2052252517010211