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 : 000607 ( Main/Merge ); précédent : 000606; suivant : 000608Le 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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<front><div type="abstract" xml:lang="en">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.</div>
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