Insertion of Alkali Metals into Open Framework, TaPS₆ by Using Alkali Metal Halide Fluxes: Single Crystal Structures of K_0.18TaPS₆, K_0.28TaPS₆, and Rb_0.09TaPS₆

摘要

Three new quaternary tantalum thiophosphates, K0.18TaPS6, K0.28TaPS6, and Rb0.09TaPS6 have been synthesized by using reactive alkali metal halide fluxes and structurally characterized by single crystal X-ray diffraction techniques. The crystal structures of K0.18TaPS6, K0.28TaPS6, and Rb0.09TaPS6 contain 3-dimensional open framework anions, [TaPS6]x- (x = 0.09, 0.18, 0.28) with the empty channel which disordered alkali metal cations, K+ and Rb+ are located in. Crystal data: K0.18TaPS6, tetragonal, space group I41/acd (no. 142), a=15.874(3) A, c=13.146(4) A, V=3312.7(12) A3, K, Z=16, R1=0.0545. Crystal data: K0.28TaPS6, tetragonal, space group I41/acd (no. 142), a=15.880(2) A, c=13.134(3) A, V=3312.1(10) A3, Z=16, R1=0.0562. Crystal data: Rb0.09TaPS6, tetragonal, space group I41/acd (no. 142), a=15.893(3) A, c=13.163(4) A, V=3324.7(15) A3, Z=16, R1=0.0432.