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The importance of proper crystal-chemical and geometrical reasoning demonstrated using layered single and double hydroxides

Atomistic modelling techniques and Rietveld refinement of X-ray powder diffraction data are widely used but often result in crystal structures that are not realistic, presumably because the authors neglect to check the crystal-chemical plausibility of their structure. The purpose of this paper is to...

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Detalhes bibliográficos
Autor principal: Richardson, Ian G.
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3606179/
https://ncbi.nlm.nih.gov/pubmed/23719702
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S205251921300376X
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