Materials Data on CS3N by Materials Project

Abstract

CNS3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight 60583-09-7 molecules. there are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.68 Å. In the second C3+ site, C3+ is bonded in a distorted linear geometry to one N3+ and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.68 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a single-bond geometry to one C3+ atom. In the second N3+ site, N3+ is bonded in a single-bond geometry to one C3+ atom. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.04 Å) and one longer (2.10 Å) S–S bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to one C3+ and one S2- atom. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.04 Å. In the fifth S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.10 Å. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to one C3+ and one S2- atom.