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Materials Data on Sr(ZnP)2 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Sr2ZnP2 by Materials Project

Sr2ZnP2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six P3- atoms to form a mixture of distorted edge, face, and corner-sharing SrP6 octahedra. The corner-sharing octahedra tilt angles range from 41–48°. There are three shorter (2.99 Å) and three longer (3.50 Å) Sr–P bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Zn–P bond lengths are 2.45 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Sr2+ atoms to form distorted edge-sharing PSr6 pentagonal pyramids. In the second P3- site, P3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗