Materials Data on S4N4O3 by Materials Project

Abstract

N3S4NO3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitric acid molecules and four N3S4 clusters. In each N3S4 cluster, there are three inequivalent N+3.50+ sites. In the first N+3.50+ site, N+3.50+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.57 Å) N–S bond length. In the second N+3.50+ site, N+3.50+ is bonded in a distorted bent 150 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.59 Å) N–S bond length. In the third N+3.50+ site, N+3.50+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.57 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one N+3.50+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to two N+3.50+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two N+3.50+ atoms. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to one N+3.50+ atom.