Materials Data on P2S3 by Materials Project

Abstract

P2S3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two P2S3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.14–2.16 Å. In the second P3+ site, P3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.14–2.16 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P3+ atoms. 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 P3+ atoms.