Materials Data on PN2O4F by Materials Project
NOPNO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four PNO3F clusters. In each PNO3F 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 (2.17 Å) P–O bond length. The P–F bond length is 1.58 Å. N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.19 Å. There are three 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 bent 120 degrees geometry to one P5+ and one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.