Materials Data on PH2F3 by Materials Project

Abstract

PH2F3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four phosphorus trifluoride molecules. P5+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent H1- and three F1- atoms. Both P–H bond lengths are 1.40 Å. There are a spread of P–F bond distances ranging from 1.58–1.67 Å. H1- is bonded in a single-bond geometry to one P5+ atom. There are three 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. In the third F1- site, F1- is bonded in a single-bond geometry to one P5+ atom.