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Locating hydrogen positions in the autunite mineral metatorbernite [Cu(UO(2))(2)(PO(4))(2)·8H(2)O]: a combined approach using neutron powder diffraction and computational modelling

Metatorbernite [Cu(UO(2))(2)(PO(4))(2)·8H(2)O] is a promising remediation material for environmental uranium contamination. Previous X-ray diffraction studies have been unable to definitively locate hydrogen positions within metatorbernite, which are key to determining the hydrogen-bond network that...

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Detalles Bibliográficos
Autores principales: MacIver-Jones, Fiona M., Sutcliffe, Polly, Graham, Margaret C., Morrison, Carole A., Kirk, Caroline A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8562655/
https://www.ncbi.nlm.nih.gov/pubmed/34804548
http://dx.doi.org/10.1107/S205225252100837X