Materials Data on S3N2Cl by Materials Project

Abstract

N2S3Cl crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+1.67- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S+1.67- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a distorted single-bond geometry to one N3+ and two equivalent Cl1- atoms. There are one shorter (2.85 Å) and one longer (3.26 Å) S–Cl bond lengths. In the second S+1.67- site, S+1.67- is bonded in a water-like geometry to two N3+ and two equivalent Cl1- atoms. There are one shorter (3.26 Å) and one longer (3.48 Å) S–Cl bond lengths. In the third S+1.67- site, S+1.67- is bonded in a distorted single-bond geometry to one N3+ and two equivalent Cl1- atoms. There are one shorter (2.81 Å) and one longer (3.58 Å) S–Cl bond lengths. Cl1- is bonded in a 6-coordinate geometry to six S+1.67- atoms.