Materials Data on Sr(ZnP)2 by Materials Project

Abstract

Sr(ZnP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent P3- atoms to form SrP6 octahedra that share corners with twelve equivalent ZnP4 tetrahedra, edges with six equivalent SrP6 octahedra, and edges with six equivalent ZnP4 tetrahedra. All Sr–P bond lengths are 3.08 Å. Zn2+ is bonded to four equivalent P3- atoms to form ZnP4 tetrahedra that share corners with six equivalent SrP6 octahedra, corners with six equivalent ZnP4 tetrahedra, edges with three equivalent SrP6 octahedra, and edges with three equivalent ZnP4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–51°. There are three shorter (2.47 Å) and one longer (2.53 Å) Zn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Zn2+ atoms.