Mg6CdB 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), two equivalent Cd(1), and two equivalent B(1) atoms to form distorted MgMg8Cd2B2 cuboctahedra that share corners with ten equivalent Mg(1)Mg8Cd2B2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cd2B2 cuboctahedra, edges with four equivalent Mg(4)Mg10B2 cuboctahedra, edges with four equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10B2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cd2B2 cuboctahedra. In the second Mg site, Mg(2) 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 Cd(1), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Mg(4)Mg10B2 cuboctahedra, corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg10B2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cd2B2 cuboctahedra, faces with two equivalent Mg(4)Mg10B2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cd2B2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3); four equivalent Mg(1); four Mg(2,2); and two equivalent B(1) atoms to form distorted MgMg10B2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg10B2 cuboctahedra, edges with two equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cd2B2 cuboctahedra, faces with two equivalent Mg(4)Mg10B2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cd2B2 cuboctahedra. In the fifth Mg site, Mg(2) 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 Cd(1), and two equivalent B(1) atoms. Cd(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. B(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4); four equivalent Mg(1); and four Mg(2,2) atoms.
Mg6CdB 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), two equivalent Cd(1), and two equivalent B(1) atoms to form distorted MgMg8Cd2B2 cuboctahedra that share corners with ten equivalent Mg(1)Mg8Cd2B2 cuboctahedra, edges with two equivalent Mg(1)Mg8Cd2B2 cuboctahedra, edges with four equivalent Mg(4)Mg10B2 cuboctahedra, edges with four equivalent Mg(3)Mg10Cd2 cuboctahedra, faces with two equivalent Mg(4)Mg10B2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cd2B2 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.11 Å. Both Mg(1)-Mg(2) bond lengths are 3.03 Å. Both Mg(1)-Mg(3) bond lengths are 3.03 Å. Both Mg(1)-Mg(4) bond lengths are 3.05 Å. There is one shorter (3.03 Å) and one longer (3.04 Å) Mg(1)-Cd(1) bond length. There is one shorter (3.02 Å) and one longer (3.05 Å) Mg(1)-B(1) bond length. In the second Mg site, Mg(2) 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 Cd(1), and two equivalent B(1) atoms. There is one shorter (3.01 Å) and one longer (3.21 Å) Mg(2)-Mg(2) bond length. There is one shorter (3.03 Å) and one longer (3.04 Å) Mg(2)-Mg(3) bond length. There is one shorter (2.93 Å) and one longer (3.14 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-Cd(1) bond lengths are 3.05 Å. Both Mg(2)-B(1) bond lengths are 3.00 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(2,2); and two equivalent Cd(1) atoms to form distorted MgMg10Cd2 cuboctahedra that share corners with four equivalent Mg(4)Mg10B2 cuboctahedra, corners with six equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with two equivalent Mg(4)Mg10B2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cd2B2 cuboctahedra, faces with two equivalent Mg(4)Mg10B2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cd2B2 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.11 Å. The Mg(3)-Mg(2) bond length is 3.04 Å. Both Mg(3)-Cd(1) bond lengths are 3.01 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3); four equivalent Mg(1); four Mg(2,2); and two equivalent B(1) atoms to form distorted MgMg10B2 cuboctahedra that share corners with four equivalent Mg(3)Mg10Cd2 cuboctahedra, corners with six equivalent Mg(4)Mg10B2 cuboctahedra, edges with two equivalent Mg(3)Mg10Cd2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Cd2B2 cuboctahedra, faces with two equivalent Mg(4)Mg10B2 cuboctahedra, faces with two equivalent Mg(3)Mg10Cd2 cuboctahedra, and faces with four equivalent Mg(1)Mg8Cd2B2 cuboctahedra. The Mg(4)-Mg(2) bond length is 2.93 Å. Both Mg(4)-B(1) bond lengths are 2.97 Å. In the fifth Mg site, Mg(2) 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 Cd(1), and two equivalent B(1) atoms. Both Mg(2)-Mg(1) bond lengths are 3.03 Å. There is one shorter (3.01 Å) and one longer (3.21 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-Cd(1) bond lengths are 3.05 Å. Both Mg(2)-B(1) bond lengths are 3.00 Å. Cd(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. B(1) is bonded in a 12-coordinate geometry to two equivalent Mg(4); four equivalent Mg(1); and four Mg(2,2) atoms.