Materials Data on Cs2TaS6 by Materials Project
Cs2TaS6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to twelve equivalent S1- atoms. There are a spread of Cs–S bond distances ranging from 3.55–4.05 Å. Ta4+ is bonded in an octahedral geometry to six equivalent S1- atoms. All Ta–S bond lengths are 2.41 Å. S1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Ta4+ atom.
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