Le phosphate de cobalt et de lithium à valence mixte Li(4+x)Co(2-x)(P2O7)2 (x = 0,03): étude structurale et analyse de distribution de charge

Acta Crystallogr C. 2010 Jan;66(Pt 1):i4-6. doi: 10.1107/S0108270109052810. Epub 2009 Dec 19.
[Article in French]

Abstract

The title compound, namely lithium cobalt(II/III) bis(diphosphate), Li(4.03)Co(1.97)(P(2)O(7))(2), is a new mixed-valent lithium/cobalt(II/III) phosphate. Three metal sites out of seven are occupied simultaneously by Li(+) and Co(II/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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