Materials Data on P2Pd3S8 by Materials Project

Abstract

Pd3(PS4)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pd3(PS4)2 sheet oriented in the (0, 0, 1) direction. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are one shorter (1.91 Å) and three longer (2.13 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to two equivalent Pd2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P5+ atom.