Materials Data on SN by Materials Project

Abstract

NS crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten NS clusters. In two of the NS clusters, there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.47 Å. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the second S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the third S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In four of the NS clusters, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.47 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.80 Å) N–S bond length. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In four of the NS clusters, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.48 Å. S1- is bonded in a single-bond geometry to one N1+ atom.