The crystal structure of ε-VOPO4

被引：35

作者：

Girgsdies, F.

Dong, W. -S.

Bartley, J. K.

Hutchings, G. J.

Schloegl, R.

Ressler, T.

机构：

[1] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany

[2] Fritz Haber Inst, Max Planck Gesellsch, Dept Inorgan Chem, D-14195 Berlin, Germany

[3] Univ Cardiff Wales, Sch Chem, Cardiff CF10 3AT, Wales

[4] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany

来源：

SOLID STATE SCIENCES | 2006年 / 8卷 / 07期

关键词：

vanadium; phosphate; crystal structure; powder diffraction; ab initio structure determination; rigid body constraints;

D O I：

10.1016/j.solidstatesciences.2006.04.008

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structure of epsilon-VOPO4 was determined in the space group Cc from X-ray powder diffraction data using a rigid body approach. The resulting structure is compared to a recently published, slightly different structure model (space group P2(1)/n) using Rietveld refinement. It was found that the new Cc model consistently yields-a better fit to the observed data and exhibits a less distorted, more stable geometry. The crystal structure of epsilon-VOPO4 is discussed in comparison to beta-VOPO4, monoclinic VPO4 center dot H2O, and other related structures. (c) 2006 Elsevier SAS. All rights reserved.

引用

页码：807 / 812

页数：6

共 23 条

[1] Vanadyl phosphates Of VOPO4 as a cathode of Li-ion rechargeable batteries [J].