Materials Data on SbS4N3 by Materials Project

Abstract

SbN3S4 is High Pressure (4-7GPa) Tellurium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SbN3S4 cluster. Sb3+ is bonded in a 2-coordinate geometry to two S2- atoms. There are one shorter (2.54 Å) and one longer (2.71 Å) Sb–S bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.61 Å) and one longer (1.70 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.58 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.49 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Sb3+ and one S2- atom. The S–S bond length is 2.04 Å. In the third S2- site, S2- is bonded in a distorted water-like geometry to one Sb3+ and one N+1.67+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to one N+1.67+ and one S2- atom.