Abstract
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.
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