Materials Data on P4Se3 by Materials Project

Abstract

P4Se3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen tetraphosphorous triselenide molecules. there are two inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one Se2- atom. The P–Se bond length is 2.26 Å. In the second P+1.50+ site, P+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.27 Å) and one longer (2.28 Å) P–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two P+1.50+ atoms. The Se–P bond length is 2.26 Å. In the second Se2- site, Se2- is bonded in a water-like geometry to two P+1.50+ atoms.