Materials Data on Li2MgCdP2 by Materials Project

Abstract

Li2MgCdP2 is Fluorite-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with four equivalent CdP4 tetrahedra, corners with twelve LiP4 tetrahedra, edges with two equivalent CdP4 tetrahedra, and edges with four equivalent MgP4 tetrahedra. All Li–P bond lengths are 2.60 Å. In the second Li1+ site, Li1+ is bonded to four equivalent P3- atoms to form LiP4 tetrahedra that share corners with four equivalent MgP4 tetrahedra, corners with twelve LiP4 tetrahedra, edges with two equivalent MgP4 tetrahedra, and edges with four equivalent CdP4 tetrahedra. All Li–P bond lengths are 2.66 Å. Mg2+ is bonded to four equivalent P3- atoms to form MgP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with four equivalent MgP4 tetrahedra, corners with eight equivalent CdP4 tetrahedra, and edges with six LiP4 tetrahedra. All Mg–P bond lengths are 2.60 Å. Cd2+ is bonded to four equivalent P3- atoms to form CdP4 tetrahedra that share corners with four equivalent LiP4 tetrahedra, corners with four equivalent CdP4 tetrahedra, corners with eight equivalent MgP4 tetrahedra, and edges with six LiP4 tetrahedra. All Cd–P bond lengths are 2.66 Å. P3- is bonded in a body-centered cubic geometry to four Li1+, two equivalent Mg2+, and two equivalent Cd2+ atoms.