Wu, Yuandong and Bensch, Wolfgang (2010) Synthesis, Crystal Structures and Spectroscopic Properties of RbBaTaS4 and K2BaTa2S11. Zeitschrift für Naturforschung B, 65 (10). DOI 10.1515/znb-2010-1007.

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Abstract

Single crystals of RbBaTaS4 (1) and K2BaTa 2S11 (2) were obtained from the reactions of Ta, with in situ formed fluxes of A2S3 (A = K, Rb), BaS, and S at 500 °C. Compound 1 crystallizes in the orthorhombic space group Pnma with a = 9.3286(5), b = 7.0391(4), c = 12.4365(7) Å, V = 816.6(1) Å3, Z = 4. Compound 2 crystallizes in the monoclinic space group P21/c with a = 14.5280(10), b = 12.6347(7), c = 17.5148(12) Å, β = 94.744(8)°, V = 3203.9(4) Å3, Z = 4. The structure of RbBaTaS4 (1) consists of isolated tetrahedral [TaS4]3- anions and Rb + and Ba2+ cations. The Ba2+ cations are surrounded by nine sulfur atoms forming distorted tricapped trigonal prisms, whereas the Rb+ cations are in an irregular environment of ten sulfur atoms. The structure of K2BaTa2S11 (2) consists of two different dinuclear [Ta2S11] units which are separated by Ba 2+ and K+ cations. The Ta atoms are coordinated by S2 2- and S2- ligands according to the mode [Ta2(μ2-S)(μ2-η2,η1- S2) 2(η2-S2)2(S)2] 4-. Each Ta atom is surrounded by seven sulfur ions forming strongly distorted pentagonal bipyramids. The two [TaS7] polyhedra share a common face in the [Ta2S11] unit. The K+ and Ba2+ cations are statistically distributed over the crystallographic sites. Compound 2 has also been characterized by UV/Vis diffuse reflectance, IR and Raman spectroscopy.

Document Type:	Article
Research affiliation:	Kiel University > Kiel Marine Science OceanRep > The Future Ocean - Cluster of Excellence Kiel University
Refereed:	Yes
Open Access Journal?:	No
Publisher:	De Gruyter
Projects:	Future Ocean
Date Deposited:	12 Jun 2018 11:22
Last Modified:	28 Mar 2019 11:47
URI:	https://oceanrep.geomar.de/id/eprint/43362

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