Materials Data on S2N2Cl by Materials Project

Abstract

N2S2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2Cl clusters. there are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. In the fourth N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.19 Å. In the second S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the fourth S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.27 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 single-bond geometry to one S2+ atom.