Synthesis, crystal structure and optical properties of A3Zr2P5S18 (A=Rb, Cs): the first quaternary zirconium thiophosphates
2004; Elsevier BV; Volume: 6; Issue: 2 Linguagem: Inglês
10.1016/j.solidstatesciences.2003.11.006
ISSN1873-3085
AutoresAndreas Gutzmann, Christian Näther, Wolfgang Bensch,
Tópico(s)X-ray Diffraction in Crystallography
ResumoAbstract 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) A, b=9.860(2) A, c=33.622(7) A and β=94.73(3)° and compound 2 a=9.288(2) A, b=9.956(2) A, c=34.061(7) A 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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