MgAl crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Al(1) atoms to form MgMg6Al6 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg6Al6 cuboctahedra, edges with six equivalent Mg(1)Mg6Al6 cuboctahedra, edges with twelve equivalent Al(1)Mg6Al6 cuboctahedra, faces with eight equivalent Mg(1)Mg6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Mg6Al6 cuboctahedra. Al(1) is bonded to six equivalent Mg(1) and six equivalent Al(1) atoms to form distorted AlMg6Al6 cuboctahedra that share corners with eighteen equivalent Al(1)Mg6Al6 cuboctahedra, edges with six equivalent Al(1)Mg6Al6 cuboctahedra, edges with twelve equivalent Mg(1)Mg6Al6 cuboctahedra, faces with eight equivalent Al(1)Mg6Al6 cuboctahedra, and faces with twelve equivalent Mg(1)Mg6Al6 cuboctahedra.
MgAl crystallizes in the hexagonal P-6m2 space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Al(1) atoms to form MgMg6Al6 cuboctahedra that share corners with eighteen equivalent Mg(1)Mg6Al6 cuboctahedra, edges with six equivalent Mg(1)Mg6Al6 cuboctahedra, edges with twelve equivalent Al(1)Mg6Al6 cuboctahedra, faces with eight equivalent Mg(1)Mg6Al6 cuboctahedra, and faces with twelve equivalent Al(1)Mg6Al6 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 2.99 Å. All Mg(1)-Al(1) bond lengths are 2.98 Å. Al(1) is bonded to six equivalent Mg(1) and six equivalent Al(1) atoms to form distorted AlMg6Al6 cuboctahedra that share corners with eighteen equivalent Al(1)Mg6Al6 cuboctahedra, edges with six equivalent Al(1)Mg6Al6 cuboctahedra, edges with twelve equivalent Mg(1)Mg6Al6 cuboctahedra, faces with eight equivalent Al(1)Mg6Al6 cuboctahedra, and faces with twelve equivalent Mg(1)Mg6Al6 cuboctahedra. All Al(1)-Al(1) bond lengths are 2.99 Å.