Materials Data on P2O2F3 by Materials Project

Abstract

P2O2F3 crystallizes in the trigonal P3c1 space group. The structure is zero-dimensional and consists of six tris(difluorophosphanyl) phosphate molecules. there are two inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.48 Å) and three longer (1.58 Å) P–O bond length. In the second P+3.50+ site, P+3.50+ is bonded in a distorted T-shaped geometry to one O2- and two F1- atoms. The P–O bond length is 1.67 Å. There is one shorter (1.60 Å) and one longer (1.61 Å) P–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+3.50+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P+3.50+ atom.