Materials Data on SN by Materials Project

Abstract

NS crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of six NS clusters and two NS ribbons oriented in the (1, 0, 0) direction. In two 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. In two of the NS clusters, there are three 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 1.62 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to two S1- atoms. Both N–S bond lengths are 1.59 Å. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the third S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In two of the NS clusters, there are two 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 (1.58 Å) and one longer (1.64 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 1.63 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a distorted single-bond geometry to one N1+ atom. In one of the NS ribbons, there are two 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 (1.59 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 S1- atoms. Both N–S bond lengths are 1.61 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In one of the NS ribbons, there are four 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 (1.59 Å) and one longer (1.68 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.59 Å) and one longer (1.68 Å) N–S bond length. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.58 Å) and one longer (1.71 Å) N–S bond length. In the fourth N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.58 Å) and one longer (1.71 Å) N–S bond length. There are four inequivalent S1- sites. In the first S1- site, S1- is bonded in a trigonal non-coplanar geometry to three N1+ atoms. In the second S1- site, S1- is bonded in a trigonal non-coplanar geometry to three N1+ atoms. In the third S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the fourth S1- site, S1- is bonded in a single-bond geometry to one N1+ atom.