Materials Data on LiMg3 by Materials Project

Abstract

Mg3Li is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Mg atoms to form LiMg12 cuboctahedra that share corners with twelve equivalent LiMg12 cuboctahedra, edges with twenty-four equivalent MgLi4Mg8 cuboctahedra, faces with six equivalent LiMg12 cuboctahedra, and faces with twelve equivalent MgLi4Mg8 cuboctahedra. All Li–Mg bond lengths are 3.13 Å. Mg is bonded to four equivalent Li and eight equivalent Mg atoms to form MgLi4Mg8 cuboctahedra that share corners with twelve equivalent MgLi4Mg8 cuboctahedra, edges with eight equivalent LiMg12 cuboctahedra, edges with sixteen equivalent MgLi4Mg8 cuboctahedra, faces with four equivalent LiMg12 cuboctahedra, and faces with fourteen equivalent MgLi4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.13 Å.