Mg5Cd crystallizes in the orthorhombic Amm2 space group. There are five 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), two equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with four equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with eight equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(4)Mg10Cd2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and four equivalent Cd(1) atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with four equivalent Cd(1)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(5)Mg10Cd2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), four 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(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with three equivalent Mg(1)Mg12 cuboctahedra, edges with three equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with four equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(4)Mg10Cd2 cuboctahedra, and faces with six equivalent Cd(1)Mg10Cd2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(4)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(1)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded to two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(1), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(1)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)Mg8Cd4 cuboctahedra. Cd(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(2), and two equivalent Cd(1) atoms to form distorted CdMg10Cd2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with eight equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with four equivalent Cd(1)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Cd2 cuboctahedra.
Mg5Cd crystallizes in the orthorhombic Amm2 space group. There are five 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), two equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with four equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with eight equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(4)Mg10Cd2 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.15 Å. Both Mg(1)-Mg(2) bond lengths are 3.18 Å. Both Mg(1)-Mg(3) bond lengths are 3.14 Å. Both Mg(1)-Mg(4) bond lengths are 3.15 Å. All Mg(1)-Mg(5) bond lengths are 3.15 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(5), and four equivalent Cd(1) atoms to form distorted MgMg8Cd4 cuboctahedra that share corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with three equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with four equivalent Cd(1)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(5)Mg10Cd2 cuboctahedra. Both Mg(2)-Mg(2) bond lengths are 3.15 Å. Both Mg(2)-Mg(3) bond lengths are 3.12 Å. Both Mg(2)-Mg(5) bond lengths are 3.13 Å. All Mg(2)-Cd(1) bond lengths are 3.13 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), four 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(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with three equivalent Mg(1)Mg12 cuboctahedra, edges with three equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with four equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(4)Mg10Cd2 cuboctahedra, and faces with six equivalent Cd(1)Mg10Cd2 cuboctahedra. Both Mg(3)-Mg(3) bond lengths are 3.15 Å. All Mg(3)-Mg(4) bond lengths are 3.13 Å. Both Mg(3)-Cd(1) bond lengths are 3.13 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(3), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(4)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(1)Mg12 cuboctahedra. Both Mg(4)-Mg(4) bond lengths are 3.15 Å. Both Mg(4)-Mg(5) bond lengths are 3.21 Å. Both Mg(4)-Cd(1) bond lengths are 3.10 Å. In the fifth Mg site, Mg(5) is bonded to two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(1), and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with three equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(1)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Cd(1)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with four equivalent Mg(1)Mg12 cuboctahedra, and faces with six equivalent Mg(2)Mg8Cd4 cuboctahedra. Both Mg(5)-Mg(5) bond lengths are 3.15 Å. Both Mg(5)-Cd(1) bond lengths are 3.13 Å. Cd(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(5), four equivalent Mg(2), and two equivalent Cd(1) atoms to form distorted CdMg10Cd2 cuboctahedra that share corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(5)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(4)Mg10Cd2 cuboctahedra, edges with three equivalent Mg(5)Mg10Cd2 cuboctahedra, edges with four equivalent Mg(2)Mg8Cd4 cuboctahedra, edges with eight equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(5)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg8Cd4 cuboctahedra, faces with four equivalent Cd(1)Mg10Cd2 cuboctahedra, and faces with six equivalent Mg(3)Mg10Cd2 cuboctahedra. Both Cd(1)-Cd(1) bond lengths are 3.15 Å.