Materials Data on P2N3O8 by Materials Project

Abstract

(N2)2(PO3N)2(PO2)2(O2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 6303-21-5 molecules, eight ammonia molecules, four trioxidane molecules, and four PO3N clusters. In each PO3N cluster, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. N2+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (2.12 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.