MgLi2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to nine equivalent Li(1) and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with seven equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with thirteen equivalent Li(1)Li9Mg3 cuboctahedra. Mg(1) is bonded to six equivalent Li(1) and six equivalent Mg(1) atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with fourteen equivalent Li(1)Li9Mg3 cuboctahedra.
MgLi2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to nine equivalent Li(1) and three equivalent Mg(1) atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with seven equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with thirteen equivalent Li(1)Li9Mg3 cuboctahedra. There are six shorter (3.08 Å) and three longer (3.11 Å) Li(1)-Li(1) bond lengths. All Li(1)-Mg(1) bond lengths are 3.13 Å. Mg(1) is bonded to six equivalent Li(1) and six equivalent Mg(1) atoms to form MgLi6Mg6 cuboctahedra that share corners with six equivalent Mg(1)Li6Mg6 cuboctahedra, corners with twelve equivalent Li(1)Li9Mg3 cuboctahedra, edges with six equivalent Mg(1)Li6Mg6 cuboctahedra, edges with twelve equivalent Li(1)Li9Mg3 cuboctahedra, faces with six equivalent Mg(1)Li6Mg6 cuboctahedra, and faces with fourteen equivalent Li(1)Li9Mg3 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 3.08 Å.