Materials Data on P4S5 by Materials Project
P4S5 is alpha U structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two P4S5 clusters. there are four inequivalent P+2.50+ sites. In the first P+2.50+ site, P+2.50+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.13 Å) and one longer (2.17 Å) P–S bond lengths. In the second P+2.50+ site, P+2.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.07 Å. In the third P+2.50+ site, P+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.94–2.13 Å. In the fourth P+2.50+ site, P+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.13 Å) and one longer (2.16 Å) P–S bond lengths. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two P+2.50+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two P+2.50+ atoms. In the fifth S2- site, S2- is bonded in a single-bond geometry to one P+2.50+ atom.