Materials Data on P4(S2O)3 by Materials Project

Abstract

P4(S2O)3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two P4(S2O)3 clusters. there are three inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded to two S2- and two O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.09 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.14 Å. In the third P+4.50+ site, P+4.50+ is bonded to two S2- and two equivalent O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.08 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.50+ atoms.