The material structure described by Cu4PbBi5S11 crystallizes in the monoclinic C2/m space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(5), one S(6), and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to one S(10), one S(9), and two equivalent S(4) atoms to form distorted CuS4 trigonal pyramids that share corners with two equivalent Bi(2)S5 square pyramids, corners with two equivalent Bi(3)S5 square pyramids, corners with two equivalent Bi(5)S5 square pyramids, corners with two equivalent Cu(2)S4 trigonal pyramids,  an edgeedge with one Bi(3)S5 square pyramid, and  an edgeedge with one Cu(4)S4 tetrahedra. In the third Cu site, Cu(3) is bonded to one S(7) and three equivalent S(8) atoms to form distorted CuS4 tetrahedra that share corners with three equivalent Pb(1)S6 octahedra, corners with four equivalent Bi(5)S5 square pyramids, corners with two equivalent Cu(3)S4 tetrahedra,  an edgeedge with one Bi(5)S5 square pyramid, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-76°. In the fourth Cu site, Cu(4) is bonded to one S(10), one S(9), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Bi(2)S5 square pyramids, corners with two equivalent Bi(3)S5 square pyramids, corners with two equivalent Bi(5)S5 square pyramids, corners with two equivalent Cu(4)S4 tetrahedra, and  an edgeedge with one Cu(2)S4 trigonal pyramid. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent S(8) and four equivalent S(2) atoms to form PbS6 octahedra that share corners with six equivalent Cu(3)S4 tetrahedra, edges with two equivalent Pb(1)S6 octahedra, and edges with four equivalent Bi(5)S5 square pyramids. In the second Pb site, Pb(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form PbS6 octahedra that share corners with two equivalent Bi(1)S6 octahedra, corners with four equivalent Bi(2)S5 square pyramids, edges with two equivalent Pb(2)S6 octahedra, edges with four equivalent Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 9°. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one S(6), two equivalent S(11), and three equivalent S(1) atoms to form BiS6 octahedra that share  a cornercorner with one Pb(2)S6 octahedra, edges with two equivalent Pb(2)S6 octahedra, edges with four equivalent Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the second Bi site, Bi(2) is bonded to one S(11), two equivalent S(10), and two equivalent S(6) atoms to form BiS5 square pyramids that share corners with two equivalent Pb(2)S6 octahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 trigonal pyramids,  an edgeedge with one Pb(2)S6 octahedra, edges with two equivalent Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the third Bi site, Bi(3) is bonded to one S(3), two equivalent S(4), and two equivalent S(5) atoms to form distorted BiS5 square pyramids that share corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 trigonal pyramids, edges with two equivalent Bi(3)S5 square pyramids, and  an edgeedge with one Cu(2)S4 trigonal pyramid. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one S(4), two equivalent S(3), and two equivalent S(7) atoms. In the fifth Bi site, Bi(5) is bonded to one S(2), two equivalent S(8), and two equivalent S(9) atoms to form distorted BiS5 square pyramids that share corners with two equivalent Cu(4)S4 tetrahedra, corners with four equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(2)S4 trigonal pyramids, edges with two equivalent Pb(1)S6 octahedra, edges with two equivalent Bi(5)S5 square pyramids, and  an edgeedge with one Cu(3)S4 tetrahedra. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Pb(2), and three equivalent Bi(1) atoms to form distorted SCu2Bi3Pb octahedra that share  a cornercorner with one S(1)Cu2Bi3Pb octahedra,  a cornercorner with one S(6)CuBi3Pb2 octahedra, edges with four equivalent S(1)Cu2Bi3Pb octahedra, and edges with four equivalent S(6)CuBi3Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Bi(5) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Cu(4), one Bi(3), and two equivalent Bi(4) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Cu(2), one Bi(4), and two equivalent Bi(3) atoms. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Bi(3) atoms. In the sixth S site, S(6) is bonded to one Cu(1), two equivalent Pb(2), one Bi(1), and two equivalent Bi(2) atoms to form SCuBi3Pb2 octahedra that share  a cornercorner with one S(1)Cu2Bi3Pb octahedra, corners with two equivalent S(6)CuBi3Pb2 octahedra, corners with two equivalent S(10)Cu2Bi2 trigonal pyramids, edges with three equivalent S(6)CuBi3Pb2 octahedra, edges with four equivalent S(1)Cu2Bi3Pb octahedra, and  an edgeedge with one S(10)Cu2Bi2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh S site, S(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3) and two equivalent Bi(4) atoms. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to three equivalent Cu(3), one Pb(1), and two equivalent Bi(5) atoms. In the ninth S site, S(9) is bonded to one Cu(2), one Cu(4), and two equivalent Bi(5) atoms to form a mixture of distorted corner and edge-sharing SCu2Bi2 trigonal pyramids. In the tenth S site, S(10) is bonded to one Cu(2), one Cu(4), and two equivalent Bi(2) atoms to form SCu2Bi2 trigonal pyramids that share corners with two equivalent S(6)CuBi3Pb2 octahedra, corners with two equivalent S(10)Cu2Bi2 trigonal pyramids,  an edgeedge with one S(6)CuBi3Pb2 octahedra, and  an edgeedge with one S(9)Cu2Bi2 trigonal pyramid. The corner-sharing octahedral tilt angles are 15°. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Bi(2) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Cu4Bi5PbS11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.074
_cell_length_b   9.074
_cell_length_c   27.194
_cell_angle_alpha   87.856
_cell_angle_beta   87.856
_cell_angle_gamma   25.165
_symmetry_Int_Tables_number   1
_cell_volume   951.443
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.371  0.371  0.422  1.0
  Cu  Cu1  1  0.305  0.305  0.788  1.0
  Cu  Cu2  1  0.695  0.695  0.212  1.0
  Cu  Cu3  1  0.798  0.798  0.026  1.0
  Cu  Cu4  1  0.491  0.491  0.767  1.0
  Cu  Cu5  1  0.509  0.509  0.233  1.0
  Cu  Cu6  1  0.202  0.202  0.974  1.0
  Cu  Cu7  1  0.629  0.629  0.578  1.0
  Bi  Bi8  1  0.315  0.315  0.552  1.0
  Bi  Bi9  1  0.941  0.941  0.655  1.0
  Bi  Bi10  1  0.171  0.171  0.705  1.0
  Bi  Bi11  1  0.372  0.372  0.150  1.0
  Bi  Bi12  1  0.829  0.829  0.295  1.0
  Bi  Bi13  1  0.628  0.628  0.850  1.0
  Bi  Bi14  1  0.128  0.128  0.100  1.0
  Bi  Bi15  1  0.059  0.059  0.345  1.0
  Bi  Bi16  1  0.685  0.685  0.448  1.0
  Bi  Bi17  1  0.872  0.872  0.900  1.0
  Pb  Pb18  1  0.500  0.500  0.000  1.0
  Pb  Pb19  1  0.000  0.000  0.500  1.0
  S  S20  1  0.846  0.846  0.466  1.0
  S  S21  1  0.988  0.988  0.077  1.0
  S  S22  1  0.939  0.939  0.227  1.0
  S  S23  1  0.264  0.264  0.222  1.0
  S  S24  1  0.596  0.596  0.658  1.0
  S  S25  1  0.538  0.538  0.426  1.0
  S  S26  1  0.404  0.404  0.342  1.0
  S  S27  1  0.736  0.736  0.778  1.0
  S  S28  1  0.790  0.790  0.110  1.0
  S  S29  1  0.012  0.012  0.923  1.0
  S  S30  1  0.662  0.662  0.012  1.0
  S  S31  1  0.593  0.593  0.164  1.0
  S  S32  1  0.210  0.210  0.890  1.0
  S  S33  1  0.407  0.407  0.836  1.0
  S  S34  1  0.610  0.610  0.285  1.0
  S  S35  1  0.061  0.061  0.773  1.0
  S  S36  1  0.338  0.338  0.988  1.0
  S  S37  1  0.799  0.799  0.621  1.0
  S  S38  1  0.462  0.462  0.574  1.0
  S  S39  1  0.201  0.201  0.379  1.0
  S  S40  1  0.390  0.390  0.715  1.0
  S  S41  1  0.154  0.154  0.534  1.0
[/CIF]
.
The material structure described by Cu4PbBi5S11 crystallizes in the monoclinic C2/m space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(5), one S(6), and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded to one S(10), one S(9), and two equivalent S(4) atoms to form distorted CuS4 trigonal pyramids that share corners with two equivalent Bi(2)S5 square pyramids, corners with two equivalent Bi(3)S5 square pyramids, corners with two equivalent Bi(5)S5 square pyramids, corners with two equivalent Cu(2)S4 trigonal pyramids,  an edgeedge with one Bi(3)S5 square pyramid, and  an edgeedge with one Cu(4)S4 tetrahedra. In the third Cu site, Cu(3) is bonded to one S(7) and three equivalent S(8) atoms to form distorted CuS4 tetrahedra that share corners with three equivalent Pb(1)S6 octahedra, corners with four equivalent Bi(5)S5 square pyramids, corners with two equivalent Cu(3)S4 tetrahedra,  an edgeedge with one Bi(5)S5 square pyramid, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-76°. In the fourth Cu site, Cu(4) is bonded to one S(10), one S(9), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Bi(2)S5 square pyramids, corners with two equivalent Bi(3)S5 square pyramids, corners with two equivalent Bi(5)S5 square pyramids, corners with two equivalent Cu(4)S4 tetrahedra, and  an edgeedge with one Cu(2)S4 trigonal pyramid. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent S(8) and four equivalent S(2) atoms to form PbS6 octahedra that share corners with six equivalent Cu(3)S4 tetrahedra, edges with two equivalent Pb(1)S6 octahedra, and edges with four equivalent Bi(5)S5 square pyramids. In the second Pb site, Pb(2) is bonded to two equivalent S(1) and four equivalent S(6) atoms to form PbS6 octahedra that share corners with two equivalent Bi(1)S6 octahedra, corners with four equivalent Bi(2)S5 square pyramids, edges with two equivalent Pb(2)S6 octahedra, edges with four equivalent Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 9°. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one S(6), two equivalent S(11), and three equivalent S(1) atoms to form BiS6 octahedra that share  a cornercorner with one Pb(2)S6 octahedra, edges with two equivalent Pb(2)S6 octahedra, edges with four equivalent Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the second Bi site, Bi(2) is bonded to one S(11), two equivalent S(10), and two equivalent S(6) atoms to form BiS5 square pyramids that share corners with two equivalent Pb(2)S6 octahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 trigonal pyramids,  an edgeedge with one Pb(2)S6 octahedra, edges with two equivalent Bi(1)S6 octahedra, and edges with two equivalent Bi(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the third Bi site, Bi(3) is bonded to one S(3), two equivalent S(4), and two equivalent S(5) atoms to form distorted BiS5 square pyramids that share corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 trigonal pyramids, edges with two equivalent Bi(3)S5 square pyramids, and  an edgeedge with one Cu(2)S4 trigonal pyramid. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one S(4), two equivalent S(3), and two equivalent S(7) atoms. In the fifth Bi site, Bi(5) is bonded to one S(2), two equivalent S(8), and two equivalent S(9) atoms to form distorted BiS5 square pyramids that share corners with two equivalent Cu(4)S4 tetrahedra, corners with four equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(2)S4 trigonal pyramids, edges with two equivalent Pb(1)S6 octahedra, edges with two equivalent Bi(5)S5 square pyramids, and  an edgeedge with one Cu(3)S4 tetrahedra. There are eleven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Cu(1), one Pb(2), and three equivalent Bi(1) atoms to form distorted SCu2Bi3Pb octahedra that share  a cornercorner with one S(1)Cu2Bi3Pb octahedra,  a cornercorner with one S(6)CuBi3Pb2 octahedra, edges with four equivalent S(1)Cu2Bi3Pb octahedra, and edges with four equivalent S(6)CuBi3Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Bi(5) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Cu(4), one Bi(3), and two equivalent Bi(4) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Cu(2), one Bi(4), and two equivalent Bi(3) atoms. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Bi(3) atoms. In the sixth S site, S(6) is bonded to one Cu(1), two equivalent Pb(2), one Bi(1), and two equivalent Bi(2) atoms to form SCuBi3Pb2 octahedra that share  a cornercorner with one S(1)Cu2Bi3Pb octahedra, corners with two equivalent S(6)CuBi3Pb2 octahedra, corners with two equivalent S(10)Cu2Bi2 trigonal pyramids, edges with three equivalent S(6)CuBi3Pb2 octahedra, edges with four equivalent S(1)Cu2Bi3Pb octahedra, and  an edgeedge with one S(10)Cu2Bi2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh S site, S(7) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3) and two equivalent Bi(4) atoms. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to three equivalent Cu(3), one Pb(1), and two equivalent Bi(5) atoms. In the ninth S site, S(9) is bonded to one Cu(2), one Cu(4), and two equivalent Bi(5) atoms to form a mixture of distorted corner and edge-sharing SCu2Bi2 trigonal pyramids. In the tenth S site, S(10) is bonded to one Cu(2), one Cu(4), and two equivalent Bi(2) atoms to form SCu2Bi2 trigonal pyramids that share corners with two equivalent S(6)CuBi3Pb2 octahedra, corners with two equivalent S(10)Cu2Bi2 trigonal pyramids,  an edgeedge with one S(6)CuBi3Pb2 octahedra, and  an edgeedge with one S(9)Cu2Bi2 trigonal pyramid. The corner-sharing octahedral tilt angles are 15°. In the eleventh S site, S(11) is bonded in a distorted T-shaped geometry to one Bi(2) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Cu4Bi5PbS11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.074
_cell_length_b   9.074
_cell_length_c   27.194
_cell_angle_alpha   87.856
_cell_angle_beta   87.856
_cell_angle_gamma   25.165
_symmetry_Int_Tables_number   1
_cell_volume   951.443
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cu  Cu0  1  0.371  0.371  0.422  1.0
  Cu  Cu1  1  0.305  0.305  0.788  1.0
  Cu  Cu2  1  0.695  0.695  0.212  1.0
  Cu  Cu3  1  0.798  0.798  0.026  1.0
  Cu  Cu4  1  0.491  0.491  0.767  1.0
  Cu  Cu5  1  0.509  0.509  0.233  1.0
  Cu  Cu6  1  0.202  0.202  0.974  1.0
  Cu  Cu7  1  0.629  0.629  0.578  1.0
  Bi  Bi8  1  0.315  0.315  0.552  1.0
  Bi  Bi9  1  0.941  0.941  0.655  1.0
  Bi  Bi10  1  0.171  0.171  0.705  1.0
  Bi  Bi11  1  0.372  0.372  0.150  1.0
  Bi  Bi12  1  0.829  0.829  0.295  1.0
  Bi  Bi13  1  0.628  0.628  0.850  1.0
  Bi  Bi14  1  0.128  0.128  0.100  1.0
  Bi  Bi15  1  0.059  0.059  0.345  1.0
  Bi  Bi16  1  0.685  0.685  0.448  1.0
  Bi  Bi17  1  0.872  0.872  0.900  1.0
  Pb  Pb18  1  0.500  0.500  0.000  1.0
  Pb  Pb19  1  0.000  0.000  0.500  1.0
  S  S20  1  0.846  0.846  0.466  1.0
  S  S21  1  0.988  0.988  0.077  1.0
  S  S22  1  0.939  0.939  0.227  1.0
  S  S23  1  0.264  0.264  0.222  1.0
  S  S24  1  0.596  0.596  0.658  1.0
  S  S25  1  0.538  0.538  0.426  1.0
  S  S26  1  0.404  0.404  0.342  1.0
  S  S27  1  0.736  0.736  0.778  1.0
  S  S28  1  0.790  0.790  0.110  1.0
  S  S29  1  0.012  0.012  0.923  1.0
  S  S30  1  0.662  0.662  0.012  1.0
  S  S31  1  0.593  0.593  0.164  1.0
  S  S32  1  0.210  0.210  0.890  1.0
  S  S33  1  0.407  0.407  0.836  1.0
  S  S34  1  0.610  0.610  0.285  1.0
  S  S35  1  0.061  0.061  0.773  1.0
  S  S36  1  0.338  0.338  0.988  1.0
  S  S37  1  0.799  0.799  0.621  1.0
  S  S38  1  0.462  0.462  0.574  1.0
  S  S39  1  0.201  0.201  0.379  1.0
  S  S40  1  0.390  0.390  0.715  1.0
  S  S41  1  0.154  0.154  0.534  1.0
[/CIF]
.