MgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), three equivalent Zn(1), and nine equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Mg(1) and six equivalent Zn(2) atoms to form a mixture of face, corner, and edge-sharing ZnMg6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to six equivalent Mg(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of face, corner, and edge-sharing ZnMg6Zn6 cuboctahedra.
MgZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), three equivalent Zn(1), and nine equivalent Zn(2) atoms. There is one shorter (3.14 Å) and three longer (3.15 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Zn(1) bond lengths are 3.02 Å. There are three shorter (2.99 Å) and six longer (3.02 Å) Mg(1)-Zn(2) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Mg(1) and six equivalent Zn(2) atoms to form a mixture of face, corner, and edge-sharing ZnMg6Zn6 cuboctahedra. All Zn(1)-Zn(2) bond lengths are 2.58 Å. In the second Zn site, Zn(2) is bonded to six equivalent Mg(1), two equivalent Zn(1), and four equivalent Zn(2) atoms to form a mixture of face, corner, and edge-sharing ZnMg6Zn6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.63 Å) Zn(2)-Zn(2) bond lengths.