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Synthesis, crystal structure and physical properties of a new chalcogenides Rb3Ga3Ge7S20
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2021-01-05 , DOI: 10.1016/j.jssc.2020.121945
Shu-Fang Li , Dong Yan

A new quaternary chalcogenide Rb3Ga3Ge7S20 belongs to A–MIIIA–MIVA–Q system (A ​= ​Li, Na, K, Rb; Q ​= ​S, Se, Te) was discovered for the first time. And it was obtained through a conventional solid-state reaction at high-temperature. The crystal structure was determined by single-crystal X-ray diffraction analysis, which indicates that Rb3Ga3Ge7S20 crystallizes in monoclinic system P21/c space group (a ​= ​6.7704(5)Å, b ​= ​37.670(3)Å, c ​= ​6.7117(5) Å, V ​= ​1711.7(2) Å3, and Z ​= ​2). The crystal structure of the title compound is assembled by the isolated quasi-2D 2[(Ga/Ge)10S21]5- layers, and Rb+ cations located in the large channels loosely. UV–vis–NIR spectroscopy measurement reveals that the optical band of the title compound is 3.19 ​eV, and it shows weak photoluminescence property with excitation wavelength of λex ​= ​320 ​nm. In addition, the electronic structure calculations on Rb3Ga3Ge7S20 reveal that the band gap is mainly determined by the GeS4 groups.



中文翻译:

新型硫族化物Rb 3 Ga 3 Ge 7 S 20的合成,晶体结构和物理性质

一种新的硫属化物季RB 337小号20属于-M IIIA -M IVA -Q系统(A =锂,钠,钾,铷; Q = S,硒,碲)被发现为第一次。并通过常规的高温固相反应获得。该晶体结构由单晶X射线衍射分析,这表明确定RB 337小号20个结晶单斜晶系P 2 1 / ç空间群(一个 = 6.7704(5),b  = 37.670(3)Å,c = 6.7117(5)A,V  = 1711.7(2)埃3,与Ž  = 2)。标题化合物的晶体结构是由分离的准二维组装2 [(GA / Ge)的10 š 21 ] 5-层,和Rb +位于大通道松散阳离子。的UV-vis-NIR光谱测定表明,标题化合物的光学带是3.19电子伏特,并且它示出了具有的激发波长的光致发光弱属性λ EX  = 320nm处。另外,Rb 3 Ga 3 Ge 7 S 20的电子结构计算表明带隙主要由GeS 4组决定。

更新日期:2021-01-12
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