Cd2Sb6S11 crystallizes in the monoclinic Pm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(7), two equivalent S(3), and two equivalent S(5) atoms to form distorted CdS5 square pyramids that share corners with two equivalent Sb(5)S5 square pyramids, corners with two equivalent Sb(6)S5 square pyramids,  an edgeedge with one Sb(6)S5 square pyramid, and edges with two equivalent Cd(1)S5 square pyramids. In the second Cd site, Cd(2) is bonded to one S(11), one S(8), and two equivalent S(4) atoms to form CdS4 tetrahedra that share corners with two equivalent Sb(4)S5 square pyramids, corners with two equivalent Sb(6)S5 square pyramids, and corners with two equivalent Cd(2)S4 tetrahedra. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one S(7), two equivalent S(1), and two equivalent S(9) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one S(11) and two equivalent S(2) atoms. In the third Sb site, Sb(3) is bonded in a distorted pentagonal planar geometry to one S(5), two equivalent S(10), and two equivalent S(4) atoms. In the fourth Sb site, Sb(4) is bonded to one S(6), two equivalent S(11), and two equivalent S(9) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Cd(2)S4 tetrahedra, edges with two equivalent Sb(4)S5 square pyramids, and edges with two equivalent Sb(5)S5 square pyramids. In the fifth Sb site, Sb(5) is bonded to one S(9), two equivalent S(6), and two equivalent S(7) atoms to form SbS5 square pyramids that share corners with two equivalent Cd(1)S5 square pyramids, edges with two equivalent Sb(4)S5 square pyramids, and edges with two equivalent Sb(5)S5 square pyramids. In the sixth Sb site, Sb(6) is bonded to one S(10), two equivalent S(5), and two equivalent S(8) atoms to form SbS5 square pyramids that share corners with two equivalent Cd(1)S5 square pyramids, corners with two equivalent Cd(2)S4 tetrahedra,  an edgeedge with one Cd(1)S5 square pyramid, and edges with two equivalent Sb(6)S5 square pyramids. There are eleven inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent Sb(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Sb(2) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent Cd(1) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Cd(2) and two equivalent Sb(3) atoms. In the fifth S site, S(5) is bonded to two equivalent Cd(1), one Sb(3), and two equivalent Sb(6) atoms to form distorted SCd2Sb3 trigonal bipyramids that share corners with two equivalent S(7)CdSb3 tetrahedra and edges with two equivalent S(5)Cd2Sb3 trigonal bipyramids. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Sb(4) and two equivalent Sb(5) atoms. In the seventh S site, S(7) is bonded to one Cd(1), one Sb(1), and two equivalent Sb(5) atoms to form distorted SCdSb3 tetrahedra that share corners with two equivalent S(7)CdSb3 tetrahedra, corners with two equivalent S(5)Cd2Sb3 trigonal bipyramids, and edges with two equivalent S(9)Sb5 square pyramids. In the eighth S site, S(8) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2) and two equivalent Sb(6) atoms. In the ninth S site, S(9) is bonded to one Sb(5), two equivalent Sb(1), and two equivalent Sb(4) atoms to form distorted SSb5 square pyramids that share corners with two equivalent S(11)CdSb3 tetrahedra, edges with two equivalent S(9)Sb5 square pyramids,  an edgeedge with one S(11)CdSb3 tetrahedra, and edges with two equivalent S(7)CdSb3 tetrahedra. In the tenth S site, S(10) is bonded in a distorted trigonal non-coplanar geometry to one Sb(6) and two equivalent Sb(3) atoms. In the eleventh S site, S(11) is bonded to one Cd(2), one Sb(2), and two equivalent Sb(4) atoms to form SCdSb3 tetrahedra that share corners with two equivalent S(9)Sb5 square pyramids, corners with two equivalent S(11)CdSb3 tetrahedra, and  an edgeedge with one S(9)Sb5 square pyramid.
Cd2Sb6S11 crystallizes in the monoclinic Pm space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one S(7), two equivalent S(3), and two equivalent S(5) atoms to form distorted CdS5 square pyramids that share corners with two equivalent Sb(5)S5 square pyramids, corners with two equivalent Sb(6)S5 square pyramids,  an edgeedge with one Sb(6)S5 square pyramid, and edges with two equivalent Cd(1)S5 square pyramids. The Cd(1)-S(7) bond length is 2.74 Å. Both Cd(1)-S(3) bond lengths are 2.50 Å. Both Cd(1)-S(5) bond lengths are 2.98 Å. In the second Cd site, Cd(2) is bonded to one S(11), one S(8), and two equivalent S(4) atoms to form CdS4 tetrahedra that share corners with two equivalent Sb(4)S5 square pyramids, corners with two equivalent Sb(6)S5 square pyramids, and corners with two equivalent Cd(2)S4 tetrahedra. The Cd(2)-S(11) bond length is 2.64 Å. The Cd(2)-S(8) bond length is 2.64 Å. Both Cd(2)-S(4) bond lengths are 2.56 Å. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one S(7), two equivalent S(1), and two equivalent S(9) atoms. The Sb(1)-S(7) bond length is 2.48 Å. Both Sb(1)-S(1) bond lengths are 2.54 Å. Both Sb(1)-S(9) bond lengths are 3.11 Å. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one S(11) and two equivalent S(2) atoms. The Sb(2)-S(11) bond length is 2.58 Å. Both Sb(2)-S(2) bond lengths are 2.53 Å. In the third Sb site, Sb(3) is bonded in a distorted pentagonal planar geometry to one S(5), two equivalent S(10), and two equivalent S(4) atoms. The Sb(3)-S(5) bond length is 2.62 Å. Both Sb(3)-S(10) bond lengths are 2.64 Å. Both Sb(3)-S(4) bond lengths are 2.97 Å. In the fourth Sb site, Sb(4) is bonded to one S(6), two equivalent S(11), and two equivalent S(9) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Cd(2)S4 tetrahedra, edges with two equivalent Sb(4)S5 square pyramids, and edges with two equivalent Sb(5)S5 square pyramids. The Sb(4)-S(6) bond length is 2.60 Å. Both Sb(4)-S(11) bond lengths are 2.80 Å. Both Sb(4)-S(9) bond lengths are 2.75 Å. In the fifth Sb site, Sb(5) is bonded to one S(9), two equivalent S(6), and two equivalent S(7) atoms to form SbS5 square pyramids that share corners with two equivalent Cd(1)S5 square pyramids, edges with two equivalent Sb(4)S5 square pyramids, and edges with two equivalent Sb(5)S5 square pyramids. The Sb(5)-S(9) bond length is 2.51 Å. Both Sb(5)-S(6) bond lengths are 2.71 Å. Both Sb(5)-S(7) bond lengths are 2.82 Å. In the sixth Sb site, Sb(6) is bonded to one S(10), two equivalent S(5), and two equivalent S(8) atoms to form SbS5 square pyramids that share corners with two equivalent Cd(1)S5 square pyramids, corners with two equivalent Cd(2)S4 tetrahedra,  an edgeedge with one Cd(1)S5 square pyramid, and edges with two equivalent Sb(6)S5 square pyramids. The Sb(6)-S(10) bond length is 2.64 Å. Both Sb(6)-S(5) bond lengths are 2.94 Å. Both Sb(6)-S(8) bond lengths are 2.67 Å. There are eleven inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to two equivalent Sb(1) atoms. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Sb(2) atoms. In the third S site, S(3) is bonded in a water-like geometry to two equivalent Cd(1) atoms. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to two equivalent Cd(2) and two equivalent Sb(3) atoms. In the fifth S site, S(5) is bonded to two equivalent Cd(1), one Sb(3), and two equivalent Sb(6) atoms to form distorted SCd2Sb3 trigonal bipyramids that share corners with two equivalent S(7)CdSb3 tetrahedra and edges with two equivalent S(5)Cd2Sb3 trigonal bipyramids. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Sb(4) and two equivalent Sb(5) atoms. In the seventh S site, S(7) is bonded to one Cd(1), one Sb(1), and two equivalent Sb(5) atoms to form distorted SCdSb3 tetrahedra that share corners with two equivalent S(7)CdSb3 tetrahedra, corners with two equivalent S(5)Cd2Sb3 trigonal bipyramids, and edges with two equivalent S(9)Sb5 square pyramids. In the eighth S site, S(8) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2) and two equivalent Sb(6) atoms. In the ninth S site, S(9) is bonded to one Sb(5), two equivalent Sb(1), and two equivalent Sb(4) atoms to form distorted SSb5 square pyramids that share corners with two equivalent S(11)CdSb3 tetrahedra, edges with two equivalent S(9)Sb5 square pyramids,  an edgeedge with one S(11)CdSb3 tetrahedra, and edges with two equivalent S(7)CdSb3 tetrahedra. In the tenth S site, S(10) is bonded in a distorted trigonal non-coplanar geometry to one Sb(6) and two equivalent Sb(3) atoms. In the eleventh S site, S(11) is bonded to one Cd(2), one Sb(2), and two equivalent Sb(4) atoms to form SCdSb3 tetrahedra that share corners with two equivalent S(9)Sb5 square pyramids, corners with two equivalent S(11)CdSb3 tetrahedra, and  an edgeedge with one S(9)Sb5 square pyramid.