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
收藏
页码：29 / 34
页数：6
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