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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 26, Number 8
BKCSDE 26(8)
August 20, 2005 

Insertion of Alkali Metals into Open Framework, TaPS6 by Using Alkali Metal Halide Fluxes: Single Crystal Structures of K0.18TaPS6, K0.28TaPS6, and Rb0.09TaPS6
Junghwan Do, Yongkwan Dong, Jungwook Kim, Song-i Hahn, Hoseop Yun*
Metal halide fluxes, Chalcogenides, Insertion into open framework
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.
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