Materials Data on PN2O4F by Materials Project

Abstract

N2(PNO4F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four PNO4F clusters. In each PNO4F cluster, P5+ is bonded in a distorted trigonal pyramidal geometry to three O2- and one F1- atom. There is two shorter (1.47 Å) and one longer (2.25 Å) P–O bond length. The P–F bond length is 1.57 Å. N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.23 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one N2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.