Synthesis,crystal structure and optical properties of A3Zr2P5S18 (A=Rb,Cs): the first quaternary zirconium thiophosphates |
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| Affiliation: | 1. Institute of Intelligent Information, Hexi University, Zhangye 734000, China;2. School of Electronic and Information Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China;3. School of Artificial Intelligence, Nankai University, Tianjin 300350, China |
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| Abstract: | The first quaternary zirconium thiophosphates Rb3Zr2P5S18 (1) and Cs3Zr2P5S18 (2) were synthesized by reacting ZrS2 with an in situ formed melt of A2S3 (A=Rb, Cs), P2S5 and S. The compounds are isostructural and crystallize in the monoclinic space group Cc with Z=4. Compound 1 has cell parameters a=9.248(2) Å, b=9.860(2) Å, c=33.622(7) Å and β=94.73(3)° and compound 2 a=9.288(2) Å, b=9.956(2) Å, c=34.061(7) Å and β=94.26(3)°. The structures are composed of a two-dimensional anionic layer Zr2P5S18]3− and intervening alkali cations. Each of the two independent Zr atoms is surrounded by seven S atoms yielding a distorted pentagonal bipyramid. The ZrS7 polyhedra are interconnected into the final layered anion by P2S7] groups which act in an unusual edge- and corner-sharing mode and by edge-sharing PS4] tetrahedra. Compound 2 was characterized with MIR and UV/vis diffuse reflectance spectroscopy. |
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