Materials Data on LiBeP by Materials Project

Abstract

LiBeP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent P3- atoms to form distorted LiP5 trigonal bipyramids that share corners with twelve equivalent BeP4 tetrahedra, corners with four equivalent LiP5 trigonal bipyramids, edges with four equivalent BeP4 tetrahedra, and edges with eight equivalent LiP5 trigonal bipyramids. There are one shorter (2.58 Å) and four longer (2.67 Å) Li–P bond lengths. Be2+ is bonded to four equivalent P3- atoms to form BeP4 tetrahedra that share corners with four equivalent BeP4 tetrahedra, corners with twelve equivalent LiP5 trigonal bipyramids, edges with four equivalent BeP4 tetrahedra, and edges with four equivalent LiP5 trigonal bipyramids. All Be–P bond lengths are 2.23 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Be2+ atoms.