Le phosphate de cobalt et de lithium à valence mixte Li4+xCo2−x(P2O7)2 (x = 0,03): étude structurale et analyse de distribution de charge
Identifieur interne : 000604 ( Main/Exploration ); précédent : 000603; suivant : 000605Le phosphate de cobalt et de lithium à valence mixte Li4+xCo2−x(P2O7)2 (x = 0,03): étude structurale et analyse de distribution de charge
Auteurs : Salah Kouass ; Abderrahmen Guesmi [Tunisie] ; Ahmed DrissSource :
- Acta Crystallographica Section C [ 0108-2701 ] ; 2010-01-15.
Abstract
The title compound, namely lithium cobalt(II/III) bis(diphosphate), Li4.03Co1.97(P2O7)2, is a new mixed‐valent lithium/cobalt(II/III) phosphate. Three metal sites out of seven are occupied simultaneously by Li+ and CoII/III ions. This disorder was established both from an analysis of the atomic displacement ellipsoids and Li/Co—O bond distances, and by means of a charge‐distribution (CHARDI) model, which provides satisfactory agreement on the computed charges (Q) for all the cations.
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DOI: 10.1107/S0108270109052810
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Three metal sites out of seven are occupied simultaneously by Li+ and CoII/III ions. 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