120th General Meeting of the KCS

Type Poster Presentation
Area Material Chemistry
Room No. Exhibition Hall 2+3
Time 10월 19일 (목요일) 11:00~12:30
Code MAT.P-408
Subject Synthesis and Crystal Structure of the New Two-dimensional Mixed-Metal Thiophosphates, AyTa(1-x)TixPS5 (A = K, Rb, Cs)
Authors Woojin Yoon, Hoseop Yun1,*
Division of Energy System, Department of Applied C, Korea
1Department of Chemistry, Ajou University, Korea
Abstract The new two-dimensional mixed-metal thiophosphates, AyTa(1-x)TixPS5 (A = K, Rb, Cs), have been synthesized through alkali metal halide flux methods and structurally characterized by single crystal X-ray diffraction techniques. The title compounds crystallize in the space group Fddd (A = K, Rb) and P21/n (A = Cs). The statistically disordered Ta/Ti atoms are surrounded by six sulphur atoms in the distorted octahedral fashion and phosphorus atoms are coordinated by four sulphur atoms in a tetrahedral geometry. The two octahedral are combined to form (Ta/Ti)2S10 dimer and these dimers are connected through PS4 tetrahedra to build the two-dimensional infinite anionic layers, 2∞[Ta(1-x)TixPS5y-]. Alkali metal ions reside among the layers to complete the three-dimensional structures. The classical charge valence can be described as [A+]y[Ta5+](1-x)[Ti4+]x[P5+] [S2-]5.
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