MgCd5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent Mg(1), one Cd(4), two equivalent Cd(1), two equivalent Cd(3), two equivalent Cd(5), and three equivalent Cd(2) atoms to form distorted MgMg2Cd10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(3)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with two equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with three equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with four equivalent Cd(4)MgCd11 cuboctahedra, edges with six equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with two equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with four equivalent Cd(4)MgCd11 cuboctahedra, and faces with five equivalent Cd(2)Mg3Cd9 cuboctahedra. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Mg(1), one Cd(3), two equivalent Cd(1), two equivalent Cd(2), two equivalent Cd(4), and three equivalent Cd(5) atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent Cd(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(2)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(4)MgCd11 cuboctahedra, edges with two equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with three equivalent Cd(4)MgCd11 cuboctahedra, edges with four equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with six equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with two equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with three equivalent Cd(4)MgCd11 cuboctahedra, faces with four equivalent Cd(3)Mg2Cd10 cuboctahedra, and faces with five equivalent Cd(5)Mg2Cd10 cuboctahedra. In the second Cd site, Cd(2) is bonded to three equivalent Mg(1), one Cd(5), two equivalent Cd(1), two equivalent Cd(2), two equivalent Cd(3), and two equivalent Cd(4) atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent Cd(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(2)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(4)MgCd11 cuboctahedra, edges with two equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(4)MgCd11 cuboctahedra, edges with four equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with six equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with two equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with three equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(4)MgCd11 cuboctahedra, faces with four equivalent Cd(5)Mg2Cd10 cuboctahedra, and faces with five equivalent Mg(1)Mg2Cd10 cuboctahedra. In the third Cd site, Cd(3) is bonded to two equivalent Mg(1), one Cd(1), two equivalent Cd(2), two equivalent Cd(3), two equivalent Cd(5), and three equivalent Cd(4) atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(3)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with two equivalent Cd(4)MgCd11 cuboctahedra, edges with three equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with four equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with six equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with two equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with four equivalent Cd(1)Mg2Cd10 cuboctahedra, and faces with five equivalent Cd(4)MgCd11 cuboctahedra. In the fourth Cd site, Cd(4) is bonded to one Mg(1), two equivalent Cd(1), two equivalent Cd(2), two equivalent Cd(4), two equivalent Cd(5), and three equivalent Cd(3) atoms to form distorted CdMgCd11 cuboctahedra that share corners with six equivalent Cd(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(2)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(4)MgCd11 cuboctahedra, edges with two equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with four equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with six equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with two equivalent Cd(4)MgCd11 cuboctahedra, faces with three equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with four equivalent Mg(1)Mg2Cd10 cuboctahedra, and faces with five equivalent Cd(3)Mg2Cd10 cuboctahedra. In the fifth Cd site, Cd(5) is bonded to two equivalent Mg(1), one Cd(2), two equivalent Cd(3), two equivalent Cd(4), two equivalent Cd(5), and three equivalent Cd(1) atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(3)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with two equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with three equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with four equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with six equivalent Cd(4)MgCd11 cuboctahedra, faces with two equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(4)MgCd11 cuboctahedra, faces with four equivalent Cd(2)Mg3Cd9 cuboctahedra, and faces with five equivalent Cd(1)Mg2Cd10 cuboctahedra.
MgCd5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent Mg(1), one Cd(4), two equivalent Cd(1), two equivalent Cd(3), two equivalent Cd(5), and three equivalent Cd(2) atoms to form distorted MgMg2Cd10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(3)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with two equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with three equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with four equivalent Cd(4)MgCd11 cuboctahedra, edges with six equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with two equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with four equivalent Cd(4)MgCd11 cuboctahedra, and faces with five equivalent Cd(2)Mg3Cd9 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.04 Å. The Mg(1)-Cd(4) bond length is 3.17 Å. Both Mg(1)-Cd(1) bond lengths are 3.19 Å. Both Mg(1)-Cd(3) bond lengths are 3.04 Å. Both Mg(1)-Cd(5) bond lengths are 3.00 Å. There are two shorter (3.21 Å) and one longer (3.24 Å) Mg(1)-Cd(2) bond length. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Mg(1), one Cd(3), two equivalent Cd(1), two equivalent Cd(2), two equivalent Cd(4), and three equivalent Cd(5) atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent Cd(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(2)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(4)MgCd11 cuboctahedra, edges with two equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with three equivalent Cd(4)MgCd11 cuboctahedra, edges with four equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with six equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with two equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with three equivalent Cd(4)MgCd11 cuboctahedra, faces with four equivalent Cd(3)Mg2Cd10 cuboctahedra, and faces with five equivalent Cd(5)Mg2Cd10 cuboctahedra. The Cd(1)-Cd(3) bond length is 3.30 Å. Both Cd(1)-Cd(1) bond lengths are 3.04 Å. Both Cd(1)-Cd(2) bond lengths are 3.02 Å. Both Cd(1)-Cd(4) bond lengths are 3.02 Å. There is one shorter (3.15 Å) and two longer (3.29 Å) Cd(1)-Cd(5) bond lengths. In the second Cd site, Cd(2) is bonded to three equivalent Mg(1), one Cd(5), two equivalent Cd(1), two equivalent Cd(2), two equivalent Cd(3), and two equivalent Cd(4) atoms to form distorted CdMg3Cd9 cuboctahedra that share corners with six equivalent Cd(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(2)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(4)MgCd11 cuboctahedra, edges with two equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(4)MgCd11 cuboctahedra, edges with four equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with six equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with two equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with three equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(4)MgCd11 cuboctahedra, faces with four equivalent Cd(5)Mg2Cd10 cuboctahedra, and faces with five equivalent Mg(1)Mg2Cd10 cuboctahedra. The Cd(2)-Cd(5) bond length is 3.20 Å. Both Cd(2)-Cd(2) bond lengths are 3.04 Å. Both Cd(2)-Cd(3) bond lengths are 3.24 Å. Both Cd(2)-Cd(4) bond lengths are 3.02 Å. In the third Cd site, Cd(3) is bonded to two equivalent Mg(1), one Cd(1), two equivalent Cd(2), two equivalent Cd(3), two equivalent Cd(5), and three equivalent Cd(4) atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(3)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with two equivalent Cd(4)MgCd11 cuboctahedra, edges with three equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with four equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with six equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with two equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with four equivalent Cd(1)Mg2Cd10 cuboctahedra, and faces with five equivalent Cd(4)MgCd11 cuboctahedra. Both Cd(3)-Cd(3) bond lengths are 3.04 Å. Both Cd(3)-Cd(5) bond lengths are 3.01 Å. There are two shorter (3.21 Å) and one longer (3.23 Å) Cd(3)-Cd(4) bond length. In the fourth Cd site, Cd(4) is bonded to one Mg(1), two equivalent Cd(1), two equivalent Cd(2), two equivalent Cd(4), two equivalent Cd(5), and three equivalent Cd(3) atoms to form distorted CdMgCd11 cuboctahedra that share corners with six equivalent Cd(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(2)Mg3Cd9 cuboctahedra, corners with six equivalent Cd(4)MgCd11 cuboctahedra, edges with two equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with four equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with six equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with two equivalent Cd(4)MgCd11 cuboctahedra, faces with three equivalent Cd(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(2)Mg3Cd9 cuboctahedra, faces with four equivalent Mg(1)Mg2Cd10 cuboctahedra, and faces with five equivalent Cd(3)Mg2Cd10 cuboctahedra. Both Cd(4)-Cd(4) bond lengths are 3.04 Å. Both Cd(4)-Cd(5) bond lengths are 3.31 Å. In the fifth Cd site, Cd(5) is bonded to two equivalent Mg(1), one Cd(2), two equivalent Cd(3), two equivalent Cd(4), two equivalent Cd(5), and three equivalent Cd(1) atoms to form distorted CdMg2Cd10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(3)Mg2Cd10 cuboctahedra, corners with six equivalent Cd(5)Mg2Cd10 cuboctahedra, edges with two equivalent Cd(1)Mg2Cd10 cuboctahedra, edges with three equivalent Mg(1)Mg2Cd10 cuboctahedra, edges with three equivalent Cd(3)Mg2Cd10 cuboctahedra, edges with four equivalent Cd(2)Mg3Cd9 cuboctahedra, edges with six equivalent Cd(4)MgCd11 cuboctahedra, faces with two equivalent Cd(5)Mg2Cd10 cuboctahedra, faces with three equivalent Mg(1)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(3)Mg2Cd10 cuboctahedra, faces with three equivalent Cd(4)MgCd11 cuboctahedra, faces with four equivalent Cd(2)Mg3Cd9 cuboctahedra, and faces with five equivalent Cd(1)Mg2Cd10 cuboctahedra. Both Cd(5)-Cd(5) bond lengths are 3.04 Å.