Materials Data on P2HNF4 by Materials Project

Abstract

P2NHF4 is Ammonia-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four imidodiphosphorous tetrafluoride molecules. there are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to one N3- and two F1- atoms. The P–N bond length is 1.69 Å. Both P–F bond lengths are 1.62 Å. In the second P4+ site, P4+ is bonded in a distorted T-shaped geometry to one N3- and two F1- atoms. The P–N bond length is 1.70 Å. Both P–F bond lengths are 1.62 Å. N3- is bonded in a distorted trigonal planar geometry to two P4+ and one H1- atom. The N–H bond length is 1.03 Å. H1- is bonded in a single-bond geometry to one N3- atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one P4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one P4+ atom.