Materials Data on S5N3 by Materials Project

Abstract

N3S5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 638-50-6 molecules. there are two inequivalent N+0.67+ sites. In the first N+0.67+ site, N+0.67+ is bonded in a bent 150 degrees geometry to two equivalent S+0.40- atoms. Both N–S bond lengths are 1.59 Å. In the second N+0.67+ site, N+0.67+ is bonded in a bent 150 degrees geometry to two S+0.40- atoms. There is one shorter (1.58 Å) and one longer (1.62 Å) N–S bond length. There are three inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a distorted single-bond geometry to one N+0.67+ and one S+0.40- atom. The S–S bond length is 2.09 Å. In the second S+0.40- site, S+0.40- is bonded in a water-like geometry to two equivalent S+0.40- atoms. In the third S+0.40- site, S+0.40- is bonded in a bent 120 degrees geometry to two N+0.67+ atoms.