MgLi2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to seven equivalent Li(1) and five equivalent Mg(1) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, corners with twelve equivalent Li(1)Li7Mg5 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with fourteen equivalent Li(1)Li7Mg5 cuboctahedra, faces with eight equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with twelve equivalent Li(1)Li7Mg5 cuboctahedra. Mg(1) is bonded to ten equivalent Li(1) and two equivalent Mg(1) atoms to form distorted MgLi10Mg2 cuboctahedra that share corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, corners with twelve equivalent Li(1)Li7Mg5 cuboctahedra, edges with eight equivalent Li(1)Li7Mg5 cuboctahedra, edges with ten equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with sixteen equivalent Li(1)Li7Mg5 cuboctahedra.
MgLi2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to seven equivalent Li(1) and five equivalent Mg(1) atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, corners with twelve equivalent Li(1)Li7Mg5 cuboctahedra, edges with four equivalent Mg(1)Li10Mg2 cuboctahedra, edges with fourteen equivalent Li(1)Li7Mg5 cuboctahedra, faces with eight equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with twelve equivalent Li(1)Li7Mg5 cuboctahedra. There are a spread of Li(1)-Li(1) bond distances ranging from 3.02-3.09 Å. There are a spread of Li(1)-Mg(1) bond distances ranging from 3.03-3.08 Å. Mg(1) is bonded to ten equivalent Li(1) and two equivalent Mg(1) atoms to form distorted MgLi10Mg2 cuboctahedra that share corners with six equivalent Mg(1)Li10Mg2 cuboctahedra, corners with twelve equivalent Li(1)Li7Mg5 cuboctahedra, edges with eight equivalent Li(1)Li7Mg5 cuboctahedra, edges with ten equivalent Mg(1)Li10Mg2 cuboctahedra, faces with four equivalent Mg(1)Li10Mg2 cuboctahedra, and faces with sixteen equivalent Li(1)Li7Mg5 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.10 Å.