Materials Data on C2S by Materials Project

Abstract

C2S crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten methane molecules and two C11S8 clusters. In each C11S8 cluster, there are five inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a 3-coordinate geometry to two S2- atoms. Both C–S bond lengths are 1.75 Å. In the second C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ and two S2- atoms. The C–C bond length is 1.39 Å. Both C–S bond lengths are 1.75 Å. In the third C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. In the fourth C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. The C–C bond length is 1.39 Å. In the fifth C1+ site, C1+ is bonded in a 3-coordinate geometry to one C1+ atom. The C–C bond length is 1.39 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the second S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. The S–C bond length is 1.75 Å. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two equivalent C1+ atoms. Both S–C bond lengths are 1.75 Å. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the sixth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. Both S–C bond lengths are 1.75 Å. In the seventh S2- site, S2- is bonded in an L-shaped geometry to two equivalent C1+ atoms. Both S–C bond lengths are 1.75 Å. In the eighth S2- site, S2- is bonded in an L-shaped geometry to two C1+ atoms. The S–C bond length is 1.75 Å.