Mg5Cd crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(5), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg11Cd cuboctahedra, corners with six equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with two equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg11Cd cuboctahedra, edges with three equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with four equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with six equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(4)Mg11Cd cuboctahedra, faces with three equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with three equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with five equivalent Mg(5)Mg10Cd2 cuboctahedra. In the second Mg site, Mg(2) is bonded to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Cd(1) atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent Mg(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg11Cd cuboctahedra, corners with six equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with two equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg11Cd cuboctahedra, edges with four equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with six equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with three equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(4)Mg11Cd cuboctahedra, faces with four equivalent Mg(5)Mg10Cd2 cuboctahedra, and faces with five equivalent Cd(1)Mg10Cd2 cuboctahedra. In the third Mg site, Mg(3) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(4), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg11Cd cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with six equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with three equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg10Cd2 cuboctahedra, and faces with five equivalent Mg(4)Mg11Cd cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(3), and one Cd(1) atom to form distorted MgMg11Cd cuboctahedra that share corners with six equivalent Mg(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg11Cd cuboctahedra, corners with six equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with two equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with four equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with six equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg11Cd cuboctahedra, faces with three equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with four equivalent Cd(1)Mg10Cd2 cuboctahedra, and faces with five equivalent Mg(3)Mg10Cd2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with six equivalent Mg(4)Mg11Cd cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(4)Mg11Cd cuboctahedra, faces with three equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(2)Mg9Cd3 cuboctahedra, and faces with five equivalent Mg(1)Mg10Cd2 cuboctahedra. Cd(1) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(2), and two equivalent Cd(1) atoms to form distorted CdMg10Cd2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg11Cd cuboctahedra, edges with six equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(4)Mg11Cd cuboctahedra, and faces with five equivalent Mg(2)Mg9Cd3 cuboctahedra.
Mg5Cd crystallizes in the monoclinic Cm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), three equivalent Mg(5), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg11Cd cuboctahedra, corners with six equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with two equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg11Cd cuboctahedra, edges with three equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with four equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with six equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(4)Mg11Cd cuboctahedra, faces with three equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with three equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with five equivalent Mg(5)Mg10Cd2 cuboctahedra. The Mg(1)-Mg(3) bond length is 3.20 Å. Both Mg(1)-Mg(1) bond lengths are 3.12 Å. Both Mg(1)-Mg(2) bond lengths are 3.17 Å. Both Mg(1)-Mg(4) bond lengths are 3.17 Å. There is one shorter (3.08 Å) and two longer (3.16 Å) Mg(1)-Mg(5) bond lengths. Both Mg(1)-Cd(1) bond lengths are 3.11 Å. In the second Mg site, Mg(2) is bonded to one Mg(5), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and three equivalent Cd(1) atoms to form distorted MgMg9Cd3 cuboctahedra that share corners with six equivalent Mg(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg11Cd cuboctahedra, corners with six equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with two equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg11Cd cuboctahedra, edges with four equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with six equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with three equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(4)Mg11Cd cuboctahedra, faces with four equivalent Mg(5)Mg10Cd2 cuboctahedra, and faces with five equivalent Cd(1)Mg10Cd2 cuboctahedra. The Mg(2)-Mg(5) bond length is 3.10 Å. Both Mg(2)-Mg(2) bond lengths are 3.12 Å. Both Mg(2)-Mg(3) bond lengths are 3.16 Å. Both Mg(2)-Mg(4) bond lengths are 3.14 Å. There are two shorter (3.11 Å) and one longer (3.14 Å) Mg(2)-Cd(1) bond length. In the third Mg site, Mg(3) is bonded to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(4), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg11Cd cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with six equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with three equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg10Cd2 cuboctahedra, and faces with five equivalent Mg(4)Mg11Cd cuboctahedra. Both Mg(3)-Mg(3) bond lengths are 3.12 Å. Both Mg(3)-Mg(5) bond lengths are 3.22 Å. All Mg(3)-Mg(4) bond lengths are 3.13 Å. Both Mg(3)-Cd(1) bond lengths are 3.10 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(3), and one Cd(1) atom to form distorted MgMg11Cd cuboctahedra that share corners with six equivalent Mg(1)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg11Cd cuboctahedra, corners with six equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with two equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with four equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with six equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg11Cd cuboctahedra, faces with three equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(2)Mg9Cd3 cuboctahedra, faces with four equivalent Cd(1)Mg10Cd2 cuboctahedra, and faces with five equivalent Mg(3)Mg10Cd2 cuboctahedra. Both Mg(4)-Mg(4) bond lengths are 3.12 Å. Both Mg(4)-Mg(5) bond lengths are 3.15 Å. The Mg(4)-Cd(1) bond length is 3.14 Å. In the fifth Mg site, Mg(5) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), three equivalent Mg(1), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with six equivalent Mg(4)Mg11Cd cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(4)Mg11Cd cuboctahedra, faces with three equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(2)Mg9Cd3 cuboctahedra, and faces with five equivalent Mg(1)Mg10Cd2 cuboctahedra. Both Mg(5)-Mg(5) bond lengths are 3.12 Å. Both Mg(5)-Cd(1) bond lengths are 3.16 Å. Cd(1) is bonded to one Mg(4), two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(5), three equivalent Mg(2), and two equivalent Cd(1) atoms to form distorted CdMg10Cd2 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(2)Mg9Cd3 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(4)Mg11Cd cuboctahedra, edges with six equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(1)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with three equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(4)Mg11Cd cuboctahedra, and faces with five equivalent Mg(2)Mg9Cd3 cuboctahedra. Both Cd(1)-Cd(1) bond lengths are 3.12 Å.