Materials Data on Cs2S3 by Materials Project
Cs2S3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven S+0.67- atoms. There are a spread of Cs–S bond distances ranging from 3.44–3.74 Å. In the second Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven S+0.67- atoms. There are a spread of Cs–S bond distances ranging from 3.53–3.75 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 7-coordinate geometry to six Cs1+ and one S+0.67- atom. The S–S bond length is 2.09 Å. In the second S+0.67- site, S+0.67- is bonded in a 4-coordinate geometry to two Cs1+ and two equivalent S+0.67- atoms.
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