MgZr2 is alpha Samarium-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zr(1) atoms to form MgMg6Zr6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with six equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with fourteen equivalent Zr(1)Mg3Zr9 cuboctahedra. Zr(1) is bonded to three equivalent Mg(1) and nine equivalent Zr(1) atoms to form ZrMg3Zr9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with nine equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with fifteen equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra.
MgZr2 is alpha Samarium-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zr(1) atoms to form MgMg6Zr6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with six equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with fourteen equivalent Zr(1)Mg3Zr9 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 3.23 Å. All Mg(1)-Zr(1) bond lengths are 3.25 Å. Zr(1) is bonded to three equivalent Mg(1) and nine equivalent Zr(1) atoms to form ZrMg3Zr9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with nine equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with fifteen equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra. There are three shorter (3.09 Å) and six longer (3.23 Å) Zr(1)-Zr(1) bond lengths.