The metastable m-Ba2SnSe5 - Synthesis, Phase Transition, Crystal Structure, Structural Relations and Electronic Structure

被引：9

作者：

Graf, Christian ^{[1
]}

Assoud, Abdeljalil ^{[1
]}

Zelinska, Mariya ^{[1
]}

Kleinke, Holger ^{[1
]}

机构：

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

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2010年 / 636卷 / 9-10期

基金：

加拿大自然科学与工程研究理事会;

关键词：

Selenium; Barium; X-ray diffraction; Phase transitions; Symmetry relations; Barnighausen; PHYSICAL-PROPERTIES; STATE; POLYTELLURIDES; CHEMISTRY; BA2SNTE5; BA2SNSE5; UNITS; TIN;

D O I：

10.1002/zaac.201000058

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A new modification of Ba2SnSe5 was synthesized in a flux reaction. The crystal structure of this compound was solved in the space group P12(1)/c1 with cell parameters of a = 21.17189(8) angstrom, b = 9.0915(3) angstrom, c = 24.7141(8) angstrom and beta = 125.621(1)degrees. The compound consists of two slightly different types of Sn4Se1412- as well as Se-3(2-) fragments and Ba2+ ions. The structure of the new modification is strongly related to the already reported alpha form, and therefore it is described using group-subgroup relations. To investigate the nature of this transition, thermal experiments and band structure calculations were performed.

引用

页码：1821 / 1826

页数：6

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