Materials Data on P3N6O7 by Materials Project
P3N3O5N2ONO crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two hydroxylamine, o-amino- molecules; two nitroxyl molecules; and two P3N3O5 ribbons oriented in the (1, 0, 0) direction. In each P3N3O5 ribbon, there are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to two N+0.17- and one O2- atom. There is one shorter (1.54 Å) and one longer (1.65 Å) P–N bond length. The P–O bond length is 1.46 Å. In the second P5+ site, P5+ is bonded to two N+0.17- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. There is one shorter (1.64 Å) and one longer (1.78 Å) P–N bond length. There is one shorter (1.49 Å) and one longer (1.53 Å) P–O bond length. In the third P5+ site, P5+ is bonded to two N+0.17- and two O2- atoms to form corner-sharing PN2O2 tetrahedra. There is one shorter (1.64 Å) and one longer (1.65 Å) P–N bond length. There is one shorter (1.48 Å) and one longer (1.69 Å) P–O bond length. There are three inequivalent N+0.17- sites. In the first N+0.17- site, N+0.17- is bonded in a trigonal planar geometry to two P5+ and one O2- atom. The N–O bond length is 1.41 Å. In the second N+0.17- site, N+0.17- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third N+0.17- site, N+0.17- is bonded in a bent 120 degrees geometry to two P5+ atoms. There are five 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 distorted single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N+0.17- atom.