Materials Data on PH2NF2 by Materials Project

Abstract

PNH2F2 is alpha La structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoramidous difluoride molecules. P5+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.66 Å. There is one shorter (1.62 Å) and one longer (1.66 Å) P–F bond length. N3- is bonded in a 3-coordinate geometry to one P5+ and two H atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N3- atom. In the second H site, H is bonded in a single-bond geometry to one N3- 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.