Mg6MoCd crystallizes in the orthorhombic Amm2 space group. There are eight 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), two equivalent Mo(1), and two equivalent Cd(1) atoms to form distorted MgMg8Cd2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; and faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra. In the second Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms to form distorted MgMg8Cd2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with ten Mg(1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; and faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Cd(1)Mg10Mo2 cuboctahedra. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms. In the sixth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3,3); and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Mg10Mo2 cuboctahedra; corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with two equivalent Cd(1)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Mo(1)Mg10Cd2 cuboctahedra. In the seventh Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms to form distorted MgMg8Cd2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with ten Mg(1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; and faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra. In the eighth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms. Mo(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four Mg(3,3); and two equivalent Cd(1) atoms to form MoMg10Cd2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with six equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Cd2 cuboctahedra. Cd(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3,3); and two equivalent Mo(1) atoms to form CdMg10Mo2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Cd2 cuboctahedra; corners with six equivalent Cd(1)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Mo2 cuboctahedra.
Mg6MoCd crystallizes in the orthorhombic Amm2 space group. There are eight 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), two equivalent Mo(1), and two equivalent Cd(1) atoms to form distorted MgMg8Cd2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with ten Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; and faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra. There is one shorter (3.08 Å) and one longer (3.12 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.07 Å) and one longer (3.12 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.07 Å. Both Mg(1)-Mg(4) bond lengths are 3.05 Å. There is one shorter (3.05 Å) and one longer (3.13 Å) Mg(1)-Mo(1) bond length. Both Mg(1)-Cd(1) bond lengths are 3.06 Å. In the second Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms to form distorted MgMg8Cd2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with ten Mg(1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; and faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra. There is one shorter (3.07 Å) and one longer (3.12 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.07 Å. Both Mg(1)-Mg(4) bond lengths are 3.05 Å. There is one shorter (3.05 Å) and one longer (3.13 Å) Mg(1)-Mo(1) bond length. Both Mg(1)-Cd(1) bond lengths are 3.06 Å. In the third Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1,1); four Mg(3,3); and two equivalent Mo(1) atoms to form distorted MgMg10Mo2 cuboctahedra that share corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with six equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Cd(1)Mg10Mo2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.05 Å. The Mg(2)-Mg(1) bond length is 3.12 Å. All Mg(2)-Mg(3,3) bond lengths are 3.07 Å. Both Mg(2)-Mo(1) bond lengths are 3.10 Å. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms. There is one shorter (2.94 Å) and one longer (3.25 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.08 Å) and one longer (3.10 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-Mo(1) bond lengths are 2.98 Å. There is one shorter (2.95 Å) and one longer (3.23 Å) Mg(3)-Cd(1) bond length. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms. There is one shorter (3.08 Å) and one longer (3.10 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-Mo(1) bond lengths are 2.98 Å. There is one shorter (2.95 Å) and one longer (3.23 Å) Mg(3)-Cd(1) bond length. In the sixth Mg site, Mg(4) is bonded to two equivalent Mg(2); four Mg(1,1); four Mg(3,3,3); and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Mg10Mo2 cuboctahedra; corners with six equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with two equivalent Cd(1)Mg10Mo2 cuboctahedra; edges with four equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Mo(1)Mg10Cd2 cuboctahedra. Both Mg(4)-Mg(1) bond lengths are 3.05 Å. The Mg(4)-Mg(3) bond length is 3.10 Å. Both Mg(4)-Cd(1) bond lengths are 3.10 Å. In the seventh Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms to form distorted MgMg8Cd2Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with four equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with ten Mg(1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with four equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; and faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra. There is one shorter (3.08 Å) and one longer (3.12 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(3) bond lengths are 3.07 Å. There is one shorter (3.05 Å) and one longer (3.13 Å) Mg(1)-Mo(1) bond length. Both Mg(1)-Cd(1) bond lengths are 3.06 Å. In the eighth Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mo(1), and two equivalent Cd(1) atoms. Both Mg(3)-Mg(2) bond lengths are 3.07 Å. There is one shorter (2.94 Å) and one longer (3.25 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mo(1) bond lengths are 2.98 Å. There is one shorter (2.95 Å) and one longer (3.23 Å) Mg(3)-Cd(1) bond length. Mo(1) is bonded to two equivalent Mg(2); four Mg(1,1,1); four Mg(3,3); and two equivalent Cd(1) atoms to form MoMg10Cd2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Mo2 cuboctahedra; corners with six equivalent Mo(1)Mg10Cd2 cuboctahedra; corners with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with two equivalent Mg(2)Mg10Mo2 cuboctahedra; edges with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; edges with four equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with two equivalent Mg(2)Mg10Mo2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Mg(4)Mg10Cd2 cuboctahedra. Both Mo(1)-Cd(1) bond lengths are 3.03 Å. Cd(1) is bonded to two equivalent Mg(4); four Mg(1,1); four Mg(3,3,3); and two equivalent Mo(1) atoms to form CdMg10Mo2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Cd2 cuboctahedra; corners with six equivalent Cd(1)Mg10Mo2 cuboctahedra; edges with two equivalent Mg(4)Mg10Cd2 cuboctahedra; edges with four equivalent Mo(1)Mg10Cd2 cuboctahedra; edges with eight Mg(1,1,1)Mg8Cd2Mo2 cuboctahedra; faces with two equivalent Mg(4)Mg10Cd2 cuboctahedra; faces with two equivalent Mo(1)Mg10Cd2 cuboctahedra; faces with two equivalent Cd(1)Mg10Mo2 cuboctahedra; faces with four Mg(1,1)Mg8Cd2Mo2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Mo2 cuboctahedra.