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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Synthesis and crystal structures of the first quaternary tantalum thiogermanates, ATaGeS_5 (A = K, Rb, Cs)
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Synthesis and crystal structures of the first quaternary tantalum thiogermanates, ATaGeS_5 (A = K, Rb, Cs)

机译：第一种四价硫代锗酸钽钽ATaGeS_5（A = K，Rb，Cs）的合成和晶体结构

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摘要

The new quaternary thiogermanates, ATaGeS_5(A = K, Rb, Cs) were prepared with the use of halide fluxes and the crystal structures of the compounds were determined by single-crystal X-ray diffraction methods. The compounds are isostructural and crystallize in space group P1? of the triclinic system with two formula units in a cell of dimensions: a = 6.937(1) ?, b = 6.950(2) ?, c = 8.844(3) ?, a = 71.07(2)°, β = 78.56(2)°, γ = 75.75(2)°, V = 387.6(2) ?~3for KTaGeS_5; a = 6.996(3) ?, b = 7.033(3) ?, c = 8.985(4) ?, α = 70.33(3)°, β= 78.12(4)°, γ = 75.63(4)°, V = 399.6(3) ?~3for RbTaGeS_5; a = 7.012(4) ?, b = 7.202(3) ?, c = 9.267(5) ?, α = 68.55(3)°, β = 77.27(4)°, γ = 74.75(4)°, V = 416.2(4) ?~3for CsTaGeS_5. The structures of ATaGeS_5 (A = K, Rb, Cs) are comprised of anionic infinite two- dimensional ~2∞[TaGeS_5~-] layers separated from one another by alkali metal cations (A~+). Each layer is made up of tantalum centered sulfur octahedra and pairs of edge-sharing germanium centered sulfur tetrahe- dra. The classical charge valence of these compounds should be represented by [A~+][(Ta~(5+))(Ge~(4+))(S ~(2-))_5]. UV/Vis diffuse reflectance measurements indicate that they are semiconductors with optical bandgaps of ca. 2.0 eV.
机译：利用卤化物助熔剂制备了新的季硫锗酸季铵盐ATaGeS_5（A = K，Rb，Cs），并通过单晶X射线衍射法确定了化合物的晶体结构。这些化合物是同构的，在空间群P1？在一个单元格中具有两个公式单位的三斜系统的坐标：a = 6.937（1）？，b = 6.950（2）？，c = 8.844（3）？，a = 71.07（2）°，β= 78.56（ 2）°，对于KTaGeS_5，γ= 75.75（2）°，V = 387.6（2）α〜3; a = 6.996（3）α，b = 7.033（3）α，c = 8.985（4）α，α= 70.33（3）°，β= 78.12（4）°，γ= 75.63（4）°，V = 399.6（3）？〜3 for RbTaGeS_5; a = 7.012（4）α，b = 7.202（3）α，c = 9.267（5）α，α= 68.55（3）°，β= 77.27（4）°，γ= 74.75（4）°，V = 416.2（4）~~ 3对于CsTaGeS_5。 ATaGeS_5（A = K，Rb，Cs）的结构由阴离子无限的二维〜2∞[TaGeS_5〜-]层组成，这些层被碱金属阳离子（A〜+）彼此隔开。每层由以钽为中心的硫八面体和成对的边缘共享的以锗为中心的硫四面体组成。这些化合物的经典电荷价应由[A〜+] [（Ta〜（5 +））（Ge〜（4 +））（S〜（2-））_ 5表示。 UV / Vis漫反射率测量表明，它们是光学带隙为ca的半导体。 2.0 eV。

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