Materials Data on P4O9 by Materials Project

Abstract

P4O9 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of twelve tetraphosphorus nonoxide molecules. there are two inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All P–O bond lengths are 1.69 Å. In the second P+4.50+ site, P+4.50+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.45–1.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.50+ atoms.