Materials Data on NiP3NO9 by Materials Project
(Ni(PO3)3)2N2 crystallizes in the trigonal R32 space group. The structure is three-dimensional and consists of three ammonia molecules and one Ni(PO3)3 framework. In the Ni(PO3)3 framework, Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ni–O bond lengths are 2.05 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent NiO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There is two shorter (1.50 Å) and two longer (1.61 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ni2+ and one P5+ atom.