Materials Data on S3(NCl)2 by Materials Project
S3N2Cl2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.64 Å) N–S bond length. In the second N4+ site, N4+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.62 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two N4+ and two equivalent Cl1- atoms. There are one shorter (2.76 Å) and one longer (3.53 Å) S–Cl bond lengths. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one N4+ and two equivalent Cl1- atoms. There are one shorter (2.93 Å) and one longer (3.48 Å) S–Cl bond lengths. In the third S2- site, S2- is bonded in a distorted water-like geometry to one N4+ and three Cl1- atoms. There are a spread of S–Cl bond distances ranging from 2.22–3.55 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to six S2- atoms.