Materials Data on Tl2CS3 by Materials Project
Tl2CS3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.63 Å. C4+ is bonded in a trigonal planar geometry to three S2- atoms. All C–S bond lengths are 1.72 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six equivalent Tl1+ and one C4+ atom.
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