Materials Data on SrP4(NO6)2 by Materials Project

Abstract

Sr(PO3)4N2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four ammonia molecules and one Sr(PO3)4 framework. In the Sr(PO3)4 framework, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.58 Å) and four longer (2.68 Å) Sr–O bond lengths. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one P5+ atom.