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2005
Structure
D 2000
02- 006
Synthesis, Crystal Structure and Vibrational Properties of K0.38TaPS6 and
Rb0.46TaPS6: Chemical Intercalation and Deintercalation of the Ternary TaPS6
Phase. — The title compounds are synthesized by reaction of M2S3 (M: K, Rb), TaS2,
P2S5, and S in a 1:4:2:8 molar ratio (873 K, 4—6 d, 85% yield for M: Rb). As revealed
by single crystal XRD, the compounds crystallize with Z = 16 in the tetragonal space
groups I41/acd (K0.38TaPS6) and I42d (Rb0.46TaPS6). The crystal structures are built up
by bicapped biprismatic [Ta12S12] units and tetrahedral [PS4] groups forming a three-dimensional network with large and small channels which are occupied by the alkali
metal ions. The alkali metal atoms can be removed via a redox reaction with electron/
ion transfer using I2 in acetonitrile as oxidizing agent. — (GUTZMANN, A.;
NAETHER, C.; BENSCH*, W.; Solid State Sci. 6 (2004) 10, 1155-1162; Inst. Anorg.
Chem., Christian-Albrechts-Univ., D-24098 Kiel, Germany; Eng.) — W. Pewestorf
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