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2005
Chromium
I 5500
01- 026
Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure,
Order, and Electrochemical Properties. — Lithium chromium oxide nitrides are prepared by solid state reaction of Li3N, Li2O, and Cr2N (N2 stream, 550—850 °C; Ti boat,
5—12 h). Depending on the reaction time and starting Li/Cr and O/Cr ratios, either the
known ordered antifluorite type phase Li14Cr2N8O (I) or the disordered phase
Li10CrN4O2 (II) (or mixtures of both) is obtained. The formation of (I) is favored by
short reaction times and low Cr/O ratios whereas the formation of (II) is favored by
higher Cr/O ratios and longer reaction times. Although both phases contain cationic vacancies in the structure, electrochemical lithium intercalation is achieved only for (II).
This phase exhibits a highly reversible capacity of 160 mAh/g. Bond valence and
first-principles DFT calculations were carried out to understand the absence of lithium
insertion in (I). — (CABANA, J.; LING, C. D.; ORO-SOLE, J.; GAUTIER, D.;
TOBIAS, G.; ADAMS, S.; CANADELL, E.; PALACIN*, M. R.; Inorg. Chem. 43
(2004) 22, 7050-7060; Inst. Cienc. Mater., CSIC, E-08193 Bellaterra, Barcelona,
Spain; Eng.) — Schramke
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