Materials Data on P2N2O5 by Materials Project

Abstract

P2N2O3O2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two P2N2O3 clusters. In each P2N2O3 cluster, there are four inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to two N and two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) P–N bond length. Both P–O bond lengths are 1.52 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to two N and two O2- atoms. There is one shorter (1.63 Å) and one longer (1.64 Å) P–N bond length. Both P–O bond lengths are 1.52 Å. In the third P5+ site, P5+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. The P–O bond length is 1.46 Å. In the fourth P5+ site, P5+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.55 Å) and one longer (1.56 Å) P–N bond length. The P–O bond length is 1.46 Å. There are four inequivalent N sites. In the first N site, N is bonded in a linear geometry to two P5+ atoms. In the second N site, N is bonded in a linear geometry to two P5+ atoms. In the third N site, N is bonded in a bent 150 degrees geometry to two P5+ atoms. In the fourth N site, N is bonded in a bent 150 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 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 single-bond geometry to one P5+ atom.