When one becomes two: Ba12In4Se20, not quite isostructural to Ba12In4S19

被引：5

作者：

Yin, Wenlong ^{[1
,2
]}

Iyer, Abishek K. ^{[2
]}

Li, Chao ^{[3
]}

Yao, Jiyong ^{[3
]}

Mar, Arthur ^{[2
]}

机构：

[1] China Acad Engn Phys, Inst Chem Mat, Mianyang 621900, Peoples R China

[2] Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada

[3] Chinese Acad Sci, Tech Inst Phys & Chem, Ctr Crystal Res & Dev, Beijing 100190, Peoples R China

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2017年 / 253卷

基金：

中国国家自然科学基金; 加拿大自然科学与工程研究理事会;

关键词：

Selenide; Crystal structure; Optical properties; CRYSTAL-STRUCTURE; ALKALINE-EARTH; ELECTRONIC-STRUCTURES; OPTICAL-PROPERTIES; SULFIDES; BAIN2SE4; ANIONS; UNITS; GA; SE;

D O I：

10.1016/j.jssc.2017.05.016

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The ternary selenide Ba12In4Se20 was synthesized by reaction of BaSe, In2Se3, and Se at 1023 K. Single-crystal X-ray diffraction revealed a trigonal structure (space group R (3) over bar, Z = 6, a = 10.0360(6) angstrom, c = 78.286(4) angstrom at room temperature) consisting of one-dimensional stacks of InSe4 tetrahedra, In2Se7 double tetrahedra, selenide Se2- anions, and diselenide Se-2(2-) anions, with Ba2+ cations in the intervening spaces. The selenide Ba12In4Se20 can be derived from the corresponding sulfide Ba12In4S19 by replacing one monoatomic Ch(2-) anion with a diatomic Ch(2)(2-) anion. An optical band gap of 1.70(2) eV, consistent with the dark red colour of the crystals, was deduced from the UV-vis-NIR diffuse reflectance spectrum.

引用

页码：29 / 34

页数：6

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