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
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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:
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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 3嘎3葛7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 3镓3葛7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。