Materials Data on P2S3 by Materials Project

Abstract

P2S3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two P2S3 clusters. there are three inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (1.94 Å) and two longer (2.14 Å) P–S bond lengths. In the second P3+ site, P3+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.06 Å. In the third P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.12 Å) and one longer (2.18 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P3+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two P3+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two equivalent P3+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P3+ atoms.