Materials Data on P3N5 by Materials Project

Abstract

P3N5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is two shorter (1.57 Å) and two longer (1.68 Å) P–N bond length. In the second P5+ site, P5+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.56–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three P5+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two equivalent P5+ atoms.