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alpha-Na3M2(PO4)(3) (M = Ti, Fe) : Absolute Cationic Ordering in NASICON-Type Phases

By Houria Kabbour, Daniel Coillot, Marie Colmont, Christian Masquelier and Olivier Mentré

Abstract

International audienceThe structure of the fully ordered R-Na3Ti2(PO4)3 NASICON compound was elucidated using highquality single-crystal data. The cation/vacancy distribution forms a homogeneous 3D arrangement and could represent the absolute cationic ordering available in the full Na3M2(PO4)3 series, as verified for M = Fe. For M = Ti, the reversible Rfγ transition was observed at 85 C, leading to the standard disordered R3c γ model. Through JPDF analysis, the most probable Na+ zigzag M(2) M(1) diffusion scheme was directly deduced using our accurate crystallographic data

Topics: [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM.MATE]Chemical Sciences/Material chemistry
Publisher: 'American Chemical Society (ACS)'
Year: 2011
DOI identifier: 10.1021/ja204321y
OAI identifier: oai:HAL:hal-00822469v1
Provided by: HAL-Artois
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