The new semiconducting polychalcogenide Ba2SnSe5 exhibiting Se2-3 units and distorted SnSe6 octahedra

被引：37

作者：

Assoud, A ^{[1
]}

Soheilnia, N ^{[1
]}

Kleinke, H ^{[1
]}

机构：

[1] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2005年 / 178卷 / 04期

基金：

加拿大自然科学与工程研究理事会; 加拿大创新基金会;

关键词：

polychalcogenide; stannate; selenide; crystal structure; electronic structure; semiconductor;

D O I：

10.1016/j.jssc.2005.01.011

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The new polyselenide Ba2SnSe5 was prepared from the elements under exclusion of air at temperatures between 650 and 750 degrees C. Ba2SnSe5 crystallizes in the orthorhombic space group P2(1)2(1)2(1), with the lattice parameters of a = 12.3572(8) angstrom, b = 17.235(1) angstrom, c = 18.134(1)angstrom, V = 3862.1(4)angstrom(3) (Z = 16). Its structure comprises nonlinear Se-3(2-) trimers, isolated SnSe4 tetrahedra and trimeric Sn3Se10 units, the latter consisting of a central (distorted) SnSe6 octahedron sharing two opposite basal edges with two SnSe4 tetrahedra. The structural differences to its Sr and Te analogs, Sr2SnSe5 and both modifications of Ba2SnTe5, are intriguing, and illustrated in detail in this article. Ba2SnSe5 is a dark brown semiconductor with a computed band gap of 1.2 eV. (c) 2005 Elsevier Inc. All rights reserved.

引用

页码：1087 / 1093

页数：7

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