Pb10Sb10(S8Cl)3 crystallizes in the monoclinic P2/m space group. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(4), two equivalent S(1), and two equivalent S(7) atoms to form distorted PbS5 square pyramids that share edges with two equivalent Pb(1)S5 square pyramids, edges with two equivalent Sb(1)S5 square pyramids, and edges with two equivalent Sb(3)S5 square pyramids. In the second Pb site, Pb(2) is bonded to one S(12), two equivalent S(2), and two equivalent S(3) atoms to form distorted PbS5 square pyramids that share corners with two equivalent Pb(3)S5Cl2 pentagonal bipyramids,  an edgeedge with one Pb(3)S5Cl2 pentagonal bipyramid, edges with two equivalent Pb(2)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. In the third Pb site, Pb(3) is bonded to one S(10), two equivalent S(3), two equivalent S(5), and two equivalent Cl(1) atoms to form distorted PbS5Cl2 pentagonal bipyramids that share corners with two equivalent Pb(2)S5 square pyramids,  an edgeedge with one Pb(2)S5 square pyramid, edges with two equivalent Sb(2)S5 square pyramids, edges with two equivalent Sb(5)S5 square pyramids, and faces with two equivalent Pb(3)S5Cl2 pentagonal bipyramids. In the fourth Pb site, Pb(4) is bonded in a 7-coordinate geometry to one S(8), two equivalent S(1), two equivalent S(2), and two equivalent Cl(2) atoms. In the fifth Pb site, Pb(5) is bonded in a 8-coordinate geometry to one S(11), one S(6), two equivalent S(5), two equivalent S(7), and two equivalent Cl(1) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(7), two equivalent S(4), and two equivalent S(6) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Sb(3)S5 square pyramids,  an edgeedge with one Sb(3)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(1)S5 square pyramids. In the second Sb site, Sb(2) is bonded to one S(3), two equivalent S(10), and two equivalent S(12) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(5)S5 square pyramids, edges with two equivalent Pb(3)S5Cl2 pentagonal bipyramids,  an edgeedge with one Sb(5)S5 square pyramid, edges with two equivalent Pb(2)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. In the third Sb site, Sb(3) is bonded to one S(1), two equivalent S(4), and two equivalent S(8) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(1)S5 square pyramids,  an edgeedge with one Sb(1)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(3)S5 square pyramids. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one S(2), two equivalent S(12), and two equivalent S(9) atoms. In the fifth Sb site, Sb(5) is bonded to one S(5), two equivalent S(10), and two equivalent S(11) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Sb(2)S5 square pyramids, edges with two equivalent Pb(3)S5Cl2 pentagonal bipyramids,  an edgeedge with one Sb(2)S5 square pyramid, and edges with two equivalent Sb(5)S5 square pyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Pb(1), two equivalent Pb(4), and one Sb(3) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Pb(2), two equivalent Pb(4), and one Sb(4) atom. In the third S site, S(3) is bonded to two equivalent Pb(2), two equivalent Pb(3), and one Sb(2) atom to form distorted SSbPb4 square pyramids that share edges with two equivalent S(10)Sb4Pb square pyramids, edges with two equivalent S(12)Sb4Pb square pyramids, and edges with two equivalent S(3)SbPb4 square pyramids. In the fourth S site, S(4) is bonded to one Pb(1), two equivalent Sb(1), and two equivalent Sb(3) atoms to form edge-sharing SSb4Pb square pyramids. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Pb(3), two equivalent Pb(5), and one Sb(5) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one Pb(5) and two equivalent Sb(1) atoms. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Pb(1), two equivalent Pb(5), and one Sb(1) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Pb(4) and two equivalent Sb(3) atoms. In the ninth S site, S(9) is bonded in a water-like geometry to two equivalent Sb(4) atoms. In the tenth S site, S(10) is bonded to one Pb(3), two equivalent Sb(2), and two equivalent Sb(5) atoms to form distorted SSb4Pb square pyramids that share corners with two equivalent S(12)Sb4Pb square pyramids,  an edgeedge with one S(12)Sb4Pb square pyramid, edges with two equivalent S(10)Sb4Pb square pyramids, and edges with two equivalent S(3)SbPb4 square pyramids. In the eleventh S site, S(11) is bonded in a distorted water-like geometry to one Pb(5) and two equivalent Sb(5) atoms. In the twelfth S site, S(12) is bonded to one Pb(2), two equivalent Sb(2), and two equivalent Sb(4) atoms to form distorted SSb4Pb square pyramids that share corners with two equivalent S(10)Sb4Pb square pyramids,  an edgeedge with one S(10)Sb4Pb square pyramid, edges with two equivalent S(12)Sb4Pb square pyramids, and edges with two equivalent S(3)SbPb4 square pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted square co-planar geometry to two equivalent Pb(3) and two equivalent Pb(5) atoms. In the second Cl site, Cl(2) is bonded in a square co-planar geometry to four equivalent Pb(4) atoms.
Pb10Sb10(S8Cl)3 crystallizes in the monoclinic P2/m space group. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(4), two equivalent S(1), and two equivalent S(7) atoms to form distorted PbS5 square pyramids that share edges with two equivalent Pb(1)S5 square pyramids, edges with two equivalent Sb(1)S5 square pyramids, and edges with two equivalent Sb(3)S5 square pyramids. The Pb(1)-S(4) bond length is 2.80 Å. Both Pb(1)-S(1) bond lengths are 2.91 Å. Both Pb(1)-S(7) bond lengths are 3.03 Å. In the second Pb site, Pb(2) is bonded to one S(12), two equivalent S(2), and two equivalent S(3) atoms to form distorted PbS5 square pyramids that share corners with two equivalent Pb(3)S5Cl2 pentagonal bipyramids,  an edgeedge with one Pb(3)S5Cl2 pentagonal bipyramid, edges with two equivalent Pb(2)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. The Pb(2)-S(12) bond length is 2.89 Å. Both Pb(2)-S(2) bond lengths are 2.98 Å. Both Pb(2)-S(3) bond lengths are 2.93 Å. In the third Pb site, Pb(3) is bonded to one S(10), two equivalent S(3), two equivalent S(5), and two equivalent Cl(1) atoms to form distorted PbS5Cl2 pentagonal bipyramids that share corners with two equivalent Pb(2)S5 square pyramids,  an edgeedge with one Pb(2)S5 square pyramid, edges with two equivalent Sb(2)S5 square pyramids, edges with two equivalent Sb(5)S5 square pyramids, and faces with two equivalent Pb(3)S5Cl2 pentagonal bipyramids. The Pb(3)-S(10) bond length is 2.92 Å. Both Pb(3)-S(3) bond lengths are 3.03 Å. Both Pb(3)-S(5) bond lengths are 2.95 Å. Both Pb(3)-Cl(1) bond lengths are 3.12 Å. In the fourth Pb site, Pb(4) is bonded in a 7-coordinate geometry to one S(8), two equivalent S(1), two equivalent S(2), and two equivalent Cl(2) atoms. The Pb(4)-S(8) bond length is 3.00 Å. Both Pb(4)-S(1) bond lengths are 3.09 Å. Both Pb(4)-S(2) bond lengths are 2.98 Å. Both Pb(4)-Cl(2) bond lengths are 3.04 Å. In the fifth Pb site, Pb(5) is bonded in a 8-coordinate geometry to one S(11), one S(6), two equivalent S(5), two equivalent S(7), and two equivalent Cl(1) atoms. The Pb(5)-S(11) bond length is 3.12 Å. The Pb(5)-S(6) bond length is 3.21 Å. Both Pb(5)-S(5) bond lengths are 3.16 Å. Both Pb(5)-S(7) bond lengths are 2.96 Å. Both Pb(5)-Cl(1) bond lengths are 2.99 Å. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(7), two equivalent S(4), and two equivalent S(6) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Sb(3)S5 square pyramids,  an edgeedge with one Sb(3)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(1)S5 square pyramids. The Sb(1)-S(7) bond length is 2.48 Å. Both Sb(1)-S(4) bond lengths are 3.11 Å. Both Sb(1)-S(6) bond lengths are 2.60 Å. In the second Sb site, Sb(2) is bonded to one S(3), two equivalent S(10), and two equivalent S(12) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(5)S5 square pyramids, edges with two equivalent Pb(3)S5Cl2 pentagonal bipyramids,  an edgeedge with one Sb(5)S5 square pyramid, edges with two equivalent Pb(2)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. The Sb(2)-S(3) bond length is 2.47 Å. Both Sb(2)-S(10) bond lengths are 2.80 Å. Both Sb(2)-S(12) bond lengths are 2.78 Å. In the third Sb site, Sb(3) is bonded to one S(1), two equivalent S(4), and two equivalent S(8) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(1)S5 square pyramids,  an edgeedge with one Sb(1)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(3)S5 square pyramids. The Sb(3)-S(1) bond length is 2.48 Å. Both Sb(3)-S(4) bond lengths are 2.86 Å. Both Sb(3)-S(8) bond lengths are 2.67 Å. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one S(2), two equivalent S(12), and two equivalent S(9) atoms. The Sb(4)-S(2) bond length is 2.48 Å. Both Sb(4)-S(12) bond lengths are 3.15 Å. Both Sb(4)-S(9) bond lengths are 2.58 Å. In the fifth Sb site, Sb(5) is bonded to one S(5), two equivalent S(10), and two equivalent S(11) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Sb(2)S5 square pyramids, edges with two equivalent Pb(3)S5Cl2 pentagonal bipyramids,  an edgeedge with one Sb(2)S5 square pyramid, and edges with two equivalent Sb(5)S5 square pyramids. The Sb(5)-S(5) bond length is 2.44 Å. Both Sb(5)-S(10) bond lengths are 3.14 Å. Both Sb(5)-S(11) bond lengths are 2.61 Å. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Pb(1), two equivalent Pb(4), and one Sb(3) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent Pb(2), two equivalent Pb(4), and one Sb(4) atom. In the third S site, S(3) is bonded to two equivalent Pb(2), two equivalent Pb(3), and one Sb(2) atom to form distorted SSbPb4 square pyramids that share edges with two equivalent S(10)Sb4Pb square pyramids, edges with two equivalent S(12)Sb4Pb square pyramids, and edges with two equivalent S(3)SbPb4 square pyramids. In the fourth S site, S(4) is bonded to one Pb(1), two equivalent Sb(1), and two equivalent Sb(3) atoms to form edge-sharing SSb4Pb square pyramids. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Pb(3), two equivalent Pb(5), and one Sb(5) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one Pb(5) and two equivalent Sb(1) atoms. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Pb(1), two equivalent Pb(5), and one Sb(1) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Pb(4) and two equivalent Sb(3) atoms. In the ninth S site, S(9) is bonded in a water-like geometry to two equivalent Sb(4) atoms. In the tenth S site, S(10) is bonded to one Pb(3), two equivalent Sb(2), and two equivalent Sb(5) atoms to form distorted SSb4Pb square pyramids that share corners with two equivalent S(12)Sb4Pb square pyramids,  an edgeedge with one S(12)Sb4Pb square pyramid, edges with two equivalent S(10)Sb4Pb square pyramids, and edges with two equivalent S(3)SbPb4 square pyramids. In the eleventh S site, S(11) is bonded in a distorted water-like geometry to one Pb(5) and two equivalent Sb(5) atoms. In the twelfth S site, S(12) is bonded to one Pb(2), two equivalent Sb(2), and two equivalent Sb(4) atoms to form distorted SSb4Pb square pyramids that share corners with two equivalent S(10)Sb4Pb square pyramids,  an edgeedge with one S(10)Sb4Pb square pyramid, edges with two equivalent S(12)Sb4Pb square pyramids, and edges with two equivalent S(3)SbPb4 square pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted square co-planar geometry to two equivalent Pb(3) and two equivalent Pb(5) atoms. In the second Cl site, Cl(2) is bonded in a square co-planar geometry to four equivalent Pb(4) atoms.