Materials Data on P2Pb3S8 by Materials Project
Pb3(PS4)2 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.92–3.66 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.03 Å) and three longer (2.07 Å) P–S bond lengths. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.05 Å) and one longer (2.09 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one P5+ atom.