Materials Data on Mg(BeP)2 by Materials Project
Mg(BeP)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent P3- atoms to form MgP6 octahedra that share corners with twelve equivalent BeP4 tetrahedra, edges with six equivalent MgP6 octahedra, and edges with six equivalent BeP4 tetrahedra. All Mg–P bond lengths are 2.68 Å. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with six equivalent MgP6 octahedra, corners with six equivalent BeP4 tetrahedra, edges with three equivalent MgP6 octahedra, and edges with three equivalent BeP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.21 Å) and one longer (2.23 Å) Be–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Mg2+ and four equivalent Be2+ atoms.