Ba3NbAs3O:: synthesis, crystal structure, Raman spectroscopy and bonding analysis

被引：5

作者：

Monconduit, L ^{[1
]}

Tillard, M ^{[1
]}

Favier, F ^{[1
]}

Belin, C ^{[1
]}

机构：

[1] Univ Montpellier 2, ESA 5072, Lab Agregats Mol & Mat Inorgan, F-34095 Montpellier 5, France

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 1999年 / 284卷 / 1-2期

关键词：

Zintl compound; Structure refinement; oxotriarsenoniobiate;

D O I：

10.1016/S0925-8388(98)00934-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The crystal structure of Ba3NbAs3O has been solved by crystal X-ray analysis (CAD-4 automatic diffractometer, Mo K alpha radiation). The compound crystallizes in space group Pnma, a=6.724(2), b=11.100(2), c=13.462(3) Angstrom, V=1004.7(4) Angstrom(3), Z=4. The structure has been refined to R1=0.0343 for 964 independent reflections, it can be described as packing of nearly tetrahedral NbAs3O6- anions, their coordination by Ba2+ cations forming interconnected trigonal prisms. The chemical bonding has been analyzed by MO calculations and Raman spectroscopy. (C) 1999 Elsevier Science S.A. All rights reserved.

引用

页码：124 / 127

页数：4

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