Mg2Zn crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(4), one Zn(2), and two equivalent Zn(1) atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Zn5 cuboctahedra, corners with six equivalent Mg(3)Mg8Zn4 cuboctahedra, corners with six equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with two equivalent Mg(4)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(2)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(1)Mg9Zn3 cuboctahedra, faces with three equivalent Mg(2)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(3)Mg8Zn4 cuboctahedra, and faces with five equivalent Mg(4)Mg8Zn4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Zn(2), and three equivalent Zn(1) atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Zn5 cuboctahedra, corners with six equivalent Mg(3)Mg8Zn4 cuboctahedra, corners with six equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with three equivalent Mg(3)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with four equivalent Mg(4)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(2)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with three equivalent Mg(1)Mg9Zn3 cuboctahedra, and faces with four equivalent Mg(4)Mg8Zn4 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Zn(1), and three equivalent Zn(2) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Zn5 cuboctahedra, corners with six equivalent Mg(3)Mg8Zn4 cuboctahedra, corners with six equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with three equivalent Mg(2)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with six equivalent Mg(4)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with three equivalent Mg(2)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(4)Mg8Zn4 cuboctahedra, and faces with three equivalent Mg(1)Mg9Zn3 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), three equivalent Mg(1), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Zn4 cuboctahedra, edges with two equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with four equivalent Mg(2)Mg7Zn5 cuboctahedra, edges with six equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(4)Mg8Zn4 cuboctahedra, faces with three equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with four equivalent Mg(2)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(1)Mg9Zn3 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and three equivalent Mg(2) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three equivalent Mg(3) atoms.
Mg2Zn crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), three equivalent Mg(4), one Zn(2), and two equivalent Zn(1) atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with six equivalent Mg(2)Mg7Zn5 cuboctahedra, corners with six equivalent Mg(3)Mg8Zn4 cuboctahedra, corners with six equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with two equivalent Mg(4)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(2)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(1)Mg9Zn3 cuboctahedra, faces with three equivalent Mg(2)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(3)Mg8Zn4 cuboctahedra, and faces with five equivalent Mg(4)Mg8Zn4 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.13 Å. Both Mg(1)-Mg(2) bond lengths are 3.10 Å. Both Mg(1)-Mg(3) bond lengths are 3.10 Å. There is one shorter (2.97 Å) and two longer (3.04 Å) Mg(1)-Mg(4) bond lengths. The Mg(1)-Zn(2) bond length is 3.02 Å. Both Mg(1)-Zn(1) bond lengths are 2.92 Å. In the second Mg site, Mg(2) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Zn(2), and three equivalent Zn(1) atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with six equivalent Mg(2)Mg7Zn5 cuboctahedra, corners with six equivalent Mg(3)Mg8Zn4 cuboctahedra, corners with six equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with three equivalent Mg(3)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with four equivalent Mg(4)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(2)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with three equivalent Mg(1)Mg9Zn3 cuboctahedra, and faces with four equivalent Mg(4)Mg8Zn4 cuboctahedra. The Mg(2)-Mg(4) bond length is 3.02 Å. Both Mg(2)-Mg(2) bond lengths are 3.13 Å. Both Mg(2)-Mg(3) bond lengths are 3.07 Å. Both Mg(2)-Zn(2) bond lengths are 2.90 Å. There is one shorter (2.97 Å) and two longer (3.03 Å) Mg(2)-Zn(1) bond lengths. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), one Zn(1), and three equivalent Zn(2) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent Mg(2)Mg7Zn5 cuboctahedra, corners with six equivalent Mg(3)Mg8Zn4 cuboctahedra, corners with six equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with three equivalent Mg(2)Mg7Zn5 cuboctahedra, edges with three equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with six equivalent Mg(4)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with three equivalent Mg(2)Mg7Zn5 cuboctahedra, faces with three equivalent Mg(4)Mg8Zn4 cuboctahedra, and faces with three equivalent Mg(1)Mg9Zn3 cuboctahedra. Both Mg(3)-Mg(3) bond lengths are 3.13 Å. Both Mg(3)-Mg(4) bond lengths are 3.06 Å. The Mg(3)-Zn(1) bond length is 2.82 Å. There are two shorter (2.91 Å) and one longer (3.09 Å) Mg(3)-Zn(2) bond length. In the fourth Mg site, Mg(4) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), three equivalent Mg(1), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent Mg(4)Mg8Zn4 cuboctahedra, edges with two equivalent Mg(1)Mg9Zn3 cuboctahedra, edges with four equivalent Mg(2)Mg7Zn5 cuboctahedra, edges with six equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(4)Mg8Zn4 cuboctahedra, faces with three equivalent Mg(3)Mg8Zn4 cuboctahedra, faces with four equivalent Mg(2)Mg7Zn5 cuboctahedra, and faces with five equivalent Mg(1)Mg9Zn3 cuboctahedra. Both Mg(4)-Mg(4) bond lengths are 3.13 Å. Both Mg(4)-Zn(1) bond lengths are 3.14 Å. Both Mg(4)-Zn(2) bond lengths are 3.06 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and three equivalent Mg(2) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three equivalent Mg(3) atoms.