Structure solution of the new titanate Li4Ti8Ni3O21 using precession electron diffraction

被引：28
|
作者：
Gemmi, Mauro [1 ,2 ,3 ]
Klein, Holger [2 ,3 ]
Rageau, Amelie [2 ,3 ]
Strobel, Pierre [2 ,3 ]
Le Cras, Federic [4 ]
机构：
[1] Univ Milan, Dipartimento Sci Terra Ardito Desio, I-20133 Milan, Italy
[2] Univ Grenoble 1, Inst Neel, F-38042 Grenoble 9, France
[3] CNRS, F-38042 Grenoble 9, France
[4] CEA, DRT LITEN LT2N, F-38054 Grenoble 9, France
来源：
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2010年 / 66卷
关键词：
precession technique; electron diffraction; Li-Ni-Ti oxides; CRYSTAL-STRUCTURE; METAL-OXIDE; X-RAY; SPINELS; NI; CO;
D O I：
10.1107/S010876810904631X
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A sample having stoichiometry Li[Ti1.5Ni0.5]O-4 has been synthesized to obtain a spinel structure. The resulting crystalline powder revealed a multiphase nature with spinel as the minor phase. The main phase is a new trigonal phase having a = 5.05910 (1), c = 32.5371 (1) angstrom. The structure has been solved by direct methods working on a three-dimensional set of intensities obtained from a precession electron-diffraction experiment, and refined on synchrotron powder diffraction data in the space group P (3) over bar c1. The model consists of hexagonal layers of edge-sharing octahedra occupied either by the heavy cations Ti and Ni, or preferentially by Li. On the basis of cation-site occupancies the stoichiometry becomes Li4Ti8Ni3O21, which is compatible with the microanalysis results.
引用
收藏
页码：60 / 68
页数：9
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