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

被引:159
作者
Kabbour, Houria [1 ]
Coillot, Daniel [1 ]
Colmont, Marie [1 ]
Masquelier, Christian [2 ]
Mentre, Olivier [1 ]
机构
[1] Univ Lille Nord France, CNRS, UMR8181, UCCS, F-59655 Villeneuve Dascq, France
[2] Univ Picardie Jules Vernes, CNRS, Lab React & Chim Solides, F-80039 Amiens 1, France
关键词
POWDER NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURE; IONIC-CONDUCTION; NA3SC2(PO4)3; PHOSPHATES; NA3FE2(PO4)3; TRANSITIONS; NA3CR2(PO4)3; NA4TIP2O9;
D O I
10.1021/ja204321y
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The structure of the fully ordered alpha-Na3Ti2(PO4)(3) NASICON compound was elucidated using high-quality 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 alpha ->gamma transition was observed at 85 degrees C, leading to the standard disordered R (3) over barc gamma model. Through JPDF analysis, the most probable Na+ zigzag M(2)-M(1) diffusion scheme was directly deduced using our accurate crystallographic data.
引用
收藏
页码:11900 / 11903
页数:4
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