MgZn2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zn(1) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zn6 cuboctahedra, corners with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, faces with six equivalent Mg(1)Mg6Zn6 cuboctahedra, and faces with fourteen equivalent Zn(1)Mg3Zn9 cuboctahedra. Zn(1) is bonded to three equivalent Mg(1) and nine equivalent Zn(1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zn6 cuboctahedra, corners with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Zn6 cuboctahedra, and faces with thirteen equivalent Zn(1)Mg3Zn9 cuboctahedra.
MgZn2 is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zn(1) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zn6 cuboctahedra, corners with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, faces with six equivalent Mg(1)Mg6Zn6 cuboctahedra, and faces with fourteen equivalent Zn(1)Mg3Zn9 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 2.99 Å. All Mg(1)-Zn(1) bond lengths are 2.91 Å. Zn(1) is bonded to three equivalent Mg(1) and nine equivalent Zn(1) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zn6 cuboctahedra, corners with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zn6 cuboctahedra, edges with twelve equivalent Zn(1)Mg3Zn9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Zn6 cuboctahedra, and faces with thirteen equivalent Zn(1)Mg3Zn9 cuboctahedra. There are three shorter (2.70 Å) and six longer (2.99 Å) Zn(1)-Zn(1) bond lengths.