MgZn crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms to form distorted MgMg5Zn7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(2)Mg6Zn6 cuboctahedra, and faces with five equivalent Zn(3)Mg7Zn5 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with three equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with two equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(1)Mg5Zn7 cuboctahedra, and faces with five equivalent Mg(3)Mg7Zn5 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with three equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with six equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with two equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(2)Mg6Zn6 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Zn(2), two equivalent Zn(1), and two equivalent Zn(3) atoms to form distorted ZnMg7Zn5 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with three equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with six equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with two equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(1)Mg5Zn7 cuboctahedra.
MgZn crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and three equivalent Zn(3) atoms to form distorted MgMg5Zn7 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(2)Mg6Zn6 cuboctahedra, and faces with five equivalent Zn(3)Mg7Zn5 cuboctahedra. The Mg(1)-Mg(2) bond length is 3.06 Å. Both Mg(1)-Mg(1) bond lengths are 3.00 Å. Both Mg(1)-Mg(3) bond lengths are 3.12 Å. Both Mg(1)-Zn(1) bond lengths are 2.89 Å. Both Mg(1)-Zn(2) bond lengths are 2.84 Å. There are two shorter (2.97 Å) and one longer (3.09 Å) Mg(1)-Zn(3) bond length. In the second Mg site, Mg(2) is bonded to one Mg(1), two equivalent Mg(2), three equivalent Mg(3), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with three equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with four equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with two equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with four equivalent Mg(1)Mg5Zn7 cuboctahedra, and faces with five equivalent Mg(3)Mg7Zn5 cuboctahedra. Both Mg(2)-Mg(2) bond lengths are 3.00 Å. There is one shorter (2.96 Å) and two longer (3.09 Å) Mg(2)-Mg(3) bond lengths. Both Mg(2)-Zn(1) bond lengths are 2.96 Å. Both Mg(2)-Zn(2) bond lengths are 2.90 Å. Both Mg(2)-Zn(3) bond lengths are 3.09 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(3), three equivalent Mg(2), one Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent Mg(1)Mg5Zn7 cuboctahedra, corners with six equivalent Mg(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with three equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with six equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with two equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(1)Mg5Zn7 cuboctahedra, faces with three equivalent Zn(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(2)Mg6Zn6 cuboctahedra. Both Mg(3)-Mg(3) bond lengths are 3.00 Å. The Mg(3)-Zn(1) bond length is 2.86 Å. Both Mg(3)-Zn(2) bond lengths are 2.90 Å. Both Mg(3)-Zn(3) bond lengths are 2.90 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 11-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms. Both Zn(1)-Zn(1) bond lengths are 3.00 Å. Both Zn(1)-Zn(2) bond lengths are 2.82 Å. Both Zn(1)-Zn(3) bond lengths are 2.81 Å. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. The Zn(2)-Zn(3) bond length is 2.71 Å. Both Zn(2)-Zn(2) bond lengths are 3.00 Å. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(1), one Zn(2), two equivalent Zn(1), and two equivalent Zn(3) atoms to form distorted ZnMg7Zn5 cuboctahedra that share corners with six equivalent Mg(2)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg7Zn5 cuboctahedra, edges with two equivalent Mg(1)Mg5Zn7 cuboctahedra, edges with three equivalent Mg(2)Mg6Zn6 cuboctahedra, edges with six equivalent Mg(3)Mg7Zn5 cuboctahedra, faces with two equivalent Zn(3)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(2)Mg6Zn6 cuboctahedra, faces with three equivalent Mg(3)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(1)Mg5Zn7 cuboctahedra. Both Zn(3)-Zn(3) bond lengths are 3.00 Å.