LiMg crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to nine equivalent Li(1) and three equivalent Mg(1) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with twelve equivalent Mg(1)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Li3Mg9 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with eight equivalent Mg(1)Li3Mg9 cuboctahedra, and faces with twelve equivalent Li(1)Li9Mg3 cuboctahedra. Mg(1) is bonded to three equivalent Li(1) and nine equivalent Mg(1) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with twelve equivalent Mg(1)Li3Mg9 cuboctahedra, faces with eight equivalent Li(1)Li9Mg3 cuboctahedra, and faces with twelve equivalent Mg(1)Li3Mg9 cuboctahedra.
LiMg crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to nine equivalent Li(1) and three equivalent Mg(1) atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with six equivalent Li(1)Li9Mg3 cuboctahedra, corners with twelve equivalent Mg(1)Li3Mg9 cuboctahedra, edges with six equivalent Mg(1)Li3Mg9 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with eight equivalent Mg(1)Li3Mg9 cuboctahedra, and faces with twelve equivalent Li(1)Li9Mg3 cuboctahedra. There are three shorter (3.10 Å) and six longer (3.14 Å) Li(1)-Li(1) bond lengths. All Li(1)-Mg(1) bond lengths are 3.08 Å. Mg(1) is bonded to three equivalent Li(1) and nine equivalent Mg(1) atoms to form distorted MgLi3Mg9 cuboctahedra that share corners with six equivalent Mg(1)Li3Mg9 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Li(1)Li9Mg3 cuboctahedra, edges with twelve equivalent Mg(1)Li3Mg9 cuboctahedra, faces with eight equivalent Li(1)Li9Mg3 cuboctahedra, and faces with twelve equivalent Mg(1)Li3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.18 Å) Mg(1)-Mg(1) bond lengths.