Materials Data on AsS4N3 by Materials Project

Abstract

NSAsN2S3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four N2S3 clusters and four NSAs clusters. In each N2S3 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ 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 N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.64 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one N1+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one N1+ atom. In each NSAs cluster, As5+ is bonded in a 1-coordinate geometry to one S2- atom. The As–S bond length is 2.34 Å. N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.63 Å. S2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N1+ atom.