Ba11(CdSb2)6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Cd(2), one Sb(3), one Sb(4), two equivalent Sb(2), and two equivalent Sb(6) atoms. In the second Ba site, Ba(2) is bonded to one Sb(3), one Sb(4), two equivalent Sb(1), and two equivalent Sb(5) atoms to form a mixture of corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent Cd(1), two equivalent Cd(3), two equivalent Sb(1), and four equivalent Sb(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to two equivalent Cd(2), two equivalent Sb(4), and three equivalent Sb(5) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to three equivalent Cd(2), one Sb(3), two equivalent Sb(5), and three equivalent Sb(2) atoms. In the sixth Ba site, Ba(6) is bonded to two equivalent Sb(3) and four equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ba(3), one Sb(1), one Sb(6), and two equivalent Sb(4) atoms. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to one Ba(1), two equivalent Ba(4), three equivalent Ba(5), one Sb(4), one Sb(5), and two equivalent Sb(2) atoms. In the third Cd site, Cd(3) is bonded in a 3-coordinate geometry to two equivalent Ba(3), one Sb(1), and two equivalent Sb(3) atoms. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(6), one Cd(1), and one Cd(3) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to two equivalent Ba(1), three equivalent Ba(5), and two equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Ba(6), and two equivalent Cd(3) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Cd(2), and two equivalent Cd(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(5), three equivalent Ba(4), and one Cd(2) atom. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to two equivalent Ba(1), four equivalent Ba(3), one Cd(1), and one Sb(6) atom.
Ba11(CdSb2)6 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Cd(2), one Sb(3), one Sb(4), two equivalent Sb(2), and two equivalent Sb(6) atoms. The Ba(1)-Cd(2) bond length is 3.56 Å. The Ba(1)-Sb(3) bond length is 3.47 Å. The Ba(1)-Sb(4) bond length is 3.45 Å. Both Ba(1)-Sb(2) bond lengths are 3.62 Å. Both Ba(1)-Sb(6) bond lengths are 3.50 Å. In the second Ba site, Ba(2) is bonded to one Sb(3), one Sb(4), two equivalent Sb(1), and two equivalent Sb(5) atoms to form a mixture of corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Ba(2)-Sb(3) bond length is 3.61 Å. The Ba(2)-Sb(4) bond length is 3.49 Å. Both Ba(2)-Sb(1) bond lengths are 3.72 Å. Both Ba(2)-Sb(5) bond lengths are 3.69 Å. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent Cd(1), two equivalent Cd(3), two equivalent Sb(1), and four equivalent Sb(6) atoms. Both Ba(3)-Cd(1) bond lengths are 3.64 Å. Both Ba(3)-Cd(3) bond lengths are 3.73 Å. Both Ba(3)-Sb(1) bond lengths are 3.55 Å. There are two shorter (3.63 Å) and two longer (3.68 Å) Ba(3)-Sb(6) bond lengths. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to two equivalent Cd(2), two equivalent Sb(4), and three equivalent Sb(5) atoms. Both Ba(4)-Cd(2) bond lengths are 3.59 Å. Both Ba(4)-Sb(4) bond lengths are 3.44 Å. There are two shorter (3.60 Å) and one longer (3.90 Å) Ba(4)-Sb(5) bond length. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to three equivalent Cd(2), one Sb(3), two equivalent Sb(5), and three equivalent Sb(2) atoms. There are two shorter (3.85 Å) and one longer (4.18 Å) Ba(5)-Cd(2) bond length. The Ba(5)-Sb(3) bond length is 3.69 Å. Both Ba(5)-Sb(5) bond lengths are 3.76 Å. There is one shorter (3.53 Å) and two longer (3.70 Å) Ba(5)-Sb(2) bond lengths. In the sixth Ba site, Ba(6) is bonded to two equivalent Sb(3) and four equivalent Sb(1) atoms to form a mixture of distorted corner, edge, and face-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 53°. Both Ba(6)-Sb(3) bond lengths are 3.55 Å. All Ba(6)-Sb(1) bond lengths are 3.63 Å. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ba(3), one Sb(1), one Sb(6), and two equivalent Sb(4) atoms. The Cd(1)-Sb(1) bond length is 2.97 Å. The Cd(1)-Sb(6) bond length is 3.16 Å. Both Cd(1)-Sb(4) bond lengths are 2.93 Å. In the second Cd site, Cd(2) is bonded in a 10-coordinate geometry to one Ba(1), two equivalent Ba(4), three equivalent Ba(5), one Sb(4), one Sb(5), and two equivalent Sb(2) atoms. The Cd(2)-Sb(4) bond length is 3.30 Å. The Cd(2)-Sb(5) bond length is 2.93 Å. Both Cd(2)-Sb(2) bond lengths are 2.98 Å. In the third Cd site, Cd(3) is bonded in a 3-coordinate geometry to two equivalent Ba(3), one Sb(1), and two equivalent Sb(3) atoms. The Cd(3)-Sb(1) bond length is 3.07 Å. Both Cd(3)-Sb(3) bond lengths are 2.87 Å. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), two equivalent Ba(6), one Cd(1), and one Cd(3) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to two equivalent Ba(1), three equivalent Ba(5), and two equivalent Cd(2) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Ba(6), and two equivalent Cd(3) atoms. In the fourth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), one Cd(2), and two equivalent Cd(1) atoms. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(5), three equivalent Ba(4), and one Cd(2) atom. In the sixth Sb site, Sb(6) is bonded in a 8-coordinate geometry to two equivalent Ba(1), four equivalent Ba(3), one Cd(1), and one Sb(6) atom. The Sb(6)-Sb(6) bond length is 2.86 Å.