Materials Data on PHOF2 by Materials Project

Abstract

PHOF2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight phosphine oxide, difluoro- molecules. P5+ is bonded in a distorted tetrahedral geometry to one H1-, one O2-, and two F1- atoms. The P–H bond length is 1.40 Å. The P–O bond length is 1.47 Å. Both P–F bond lengths are 1.57 Å. H1- is bonded in a single-bond geometry to one P5+ atom. O2- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.