CsMg6Cd crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cd(1) atoms to form CsMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Cs2Mg10 cuboctahedra, corners with six equivalent Cs(1)Mg10Cd2 cuboctahedra, edges with two equivalent Cd(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg10Cd2 cuboctahedra, and faces with two equivalent Cd(1)Cs2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Cd(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and two equivalent Cd(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(2), and two equivalent Cd(1) atoms. Cd(1) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted CdCs2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Cs2Mg10 cuboctahedra, edges with two equivalent Cs(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cs(1)Mg10Cd2 cuboctahedra, and faces with two equivalent Cd(1)Cs2Mg10 cuboctahedra.
CsMg6Cd crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cd(1) atoms to form CsMg10Cd2 cuboctahedra that share corners with four equivalent Cd(1)Cs2Mg10 cuboctahedra, corners with six equivalent Cs(1)Mg10Cd2 cuboctahedra, edges with two equivalent Cd(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg10Cd2 cuboctahedra, and faces with two equivalent Cd(1)Cs2Mg10 cuboctahedra. Both Cs(1)-Mg(3) bond lengths are 3.53 Å. There are two shorter (3.50 Å) and two longer (3.52 Å) Cs(1)-Mg(1) bond lengths. All Cs(1)-Mg(2) bond lengths are 3.51 Å. Both Cs(1)-Cd(1) bond lengths are 3.48 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Cd(1) atoms. Both Mg(1)-Mg(2) bond lengths are 3.33 Å. Both Mg(1)-Mg(3) bond lengths are 3.31 Å. There is one shorter (3.43 Å) and one longer (3.59 Å) Mg(1)-Cd(1) bond length. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Mg(2), one Mg(3), two equivalent Mg(1), two equivalent Mg(4), and two equivalent Cd(1) atoms. The Mg(2)-Mg(2) bond length is 3.12 Å. The Mg(2)-Mg(3) bond length is 3.15 Å. There is one shorter (3.51 Å) and one longer (3.52 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-Cd(1) bond lengths are 3.31 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.49 Å. In the fourth Mg site, Mg(4) is bonded in a distorted water-like geometry to two equivalent Mg(3), four equivalent Mg(2), and two equivalent Cd(1) atoms. Both Mg(4)-Cd(1) bond lengths are 3.43 Å. Cd(1) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted CdCs2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg10Cd2 cuboctahedra, corners with six equivalent Cd(1)Cs2Mg10 cuboctahedra, edges with two equivalent Cs(1)Mg10Cd2 cuboctahedra, faces with two equivalent Cs(1)Mg10Cd2 cuboctahedra, and faces with two equivalent Cd(1)Cs2Mg10 cuboctahedra.