The crystal structure described by Re3PbS6 crystallizes in the monoclinic Cc space group. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(1), one S(10), one S(12), one S(5), and one S(8) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. In the second Re site, Re(2) is bonded to one S(11), one S(2), one S(6), one S(7), and one S(9) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. In the third Re site, Re(3) is bonded to one S(10), one S(12), one S(2), one S(3), and one S(7) atom to form edge-sharing ReS5 square pyramids. In the fourth Re site, Re(4) is bonded to one S(1), one S(11), one S(4), one S(8), and one S(9) atom to form edge-sharing ReS5 square pyramids. In the fifth Re site, Re(5) is bonded to one S(12), one S(2), one S(6), one S(8), and one S(9) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. In the sixth Re site, Re(6) is bonded to one S(1), one S(10), one S(11), one S(5), and one S(7) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(10), one S(4), one S(5), and one S(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(5), one S(6), and one S(7) atom. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Re(1), one Re(4), one Re(6), and one Pb(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), and one Re(5) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Re(3), one Pb(2), and one S(4) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Re(4), one Pb(1), and one S(3) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Re(1), one Re(6), one Pb(1), and one Pb(2) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Re(2), one Re(5), and one Pb(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), one Re(6), and one Pb(2) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Re(5) atom. In the ninth S site, S(9) is bonded in a 4-coordinate geometry to one Re(2), one Re(4), one Re(5), and one Pb(1) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), one Re(6), and one Pb(1) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to one Re(2), one Re(4), and one Re(6) atom. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Re(5) atom. is represented by the CIF card [CIF]
data_Re3PbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.458
_cell_length_b   9.458
_cell_length_c   11.878
_cell_angle_alpha   89.109
_cell_angle_beta   89.109
_cell_angle_gamma   61.369
_symmetry_Int_Tables_number   1
_cell_volume   932.381
_cell_formula_units_Z   4
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
  Re  Re0  1  0.887  0.522  0.867  1.0
  Re  Re1  1  0.478  0.116  0.631  1.0
  Re  Re2  1  0.116  0.478  0.131  1.0
  Re  Re3  1  0.522  0.887  0.367  1.0
  Re  Re4  1  0.990  0.698  0.969  1.0
  Re  Re5  1  0.302  0.014  0.527  1.0
  Re  Re6  1  0.014  0.302  0.027  1.0
  Re  Re7  1  0.698  0.990  0.469  1.0
  Re  Re8  1  0.195  0.400  0.916  1.0
  Re  Re9  1  0.601  0.807  0.580  1.0
  Re  Re10  1  0.807  0.601  0.080  1.0
  Re  Re11  1  0.400  0.195  0.416  1.0
  Pb  Pb12  1  0.888  0.355  0.500  1.0
  Pb  Pb13  1  0.355  0.888  1.000  1.0
  Pb  Pb14  1  0.744  0.231  0.776  1.0
  Pb  Pb15  1  0.231  0.744  0.276  1.0
  S  S16  1  0.730  0.424  0.979  1.0
  S  S17  1  0.575  0.272  0.518  1.0
  S  S18  1  0.272  0.575  0.018  1.0
  S  S19  1  0.424  0.730  0.479  1.0
  S  S20  1  0.952  0.988  0.422  1.0
  S  S21  1  0.026  0.041  0.075  1.0
  S  S22  1  0.041  0.026  0.575  1.0
  S  S23  1  0.988  0.952  0.922  1.0
  S  S24  1  0.736  0.544  0.689  1.0
  S  S25  1  0.450  0.263  0.806  1.0
  S  S26  1  0.263  0.450  0.306  1.0
  S  S27  1  0.544  0.736  0.189  1.0
  S  S28  1  0.919  0.755  0.165  1.0
  S  S29  1  0.245  0.085  0.331  1.0
  S  S30  1  0.085  0.245  0.831  1.0
  S  S31  1  0.755  0.919  0.665  1.0
  S  S32  1  0.205  0.299  0.568  1.0
  S  S33  1  0.709  0.795  0.924  1.0
  S  S34  1  0.795  0.709  0.424  1.0
  S  S35  1  0.299  0.205  0.068  1.0
  S  S36  1  0.937  0.392  0.219  1.0
  S  S37  1  0.610  0.063  0.277  1.0
  S  S38  1  0.063  0.610  0.777  1.0
  S  S39  1  0.392  0.937  0.719  1.0
[/CIF]
.
The crystal structure described by Re3PbS6 crystallizes in the monoclinic Cc space group. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(1), one S(10), one S(12), one S(5), and one S(8) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. In the second Re site, Re(2) is bonded to one S(11), one S(2), one S(6), one S(7), and one S(9) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. In the third Re site, Re(3) is bonded to one S(10), one S(12), one S(2), one S(3), and one S(7) atom to form edge-sharing ReS5 square pyramids. In the fourth Re site, Re(4) is bonded to one S(1), one S(11), one S(4), one S(8), and one S(9) atom to form edge-sharing ReS5 square pyramids. In the fifth Re site, Re(5) is bonded to one S(12), one S(2), one S(6), one S(8), and one S(9) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. In the sixth Re site, Re(6) is bonded to one S(1), one S(10), one S(11), one S(5), and one S(7) atom to form a mixture of edge and corner-sharing ReS5 square pyramids. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(10), one S(4), one S(5), and one S(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one S(1), one S(3), one S(5), one S(6), and one S(7) atom. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Re(1), one Re(4), one Re(6), and one Pb(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), and one Re(5) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Re(3), one Pb(2), and one S(4) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Re(4), one Pb(1), and one S(3) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Re(1), one Re(6), one Pb(1), and one Pb(2) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Re(2), one Re(5), and one Pb(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), one Re(6), and one Pb(2) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Re(5) atom. In the ninth S site, S(9) is bonded in a 4-coordinate geometry to one Re(2), one Re(4), one Re(5), and one Pb(1) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), one Re(6), and one Pb(1) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to one Re(2), one Re(4), and one Re(6) atom. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Re(5) atom. is represented by the CIF card [CIF]
data_Re3PbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.458
_cell_length_b   9.458
_cell_length_c   11.878
_cell_angle_alpha   89.109
_cell_angle_beta   89.109
_cell_angle_gamma   61.369
_symmetry_Int_Tables_number   1
_cell_volume   932.381
_cell_formula_units_Z   4
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
  Re  Re0  1  0.887  0.522  0.867  1.0
  Re  Re1  1  0.478  0.116  0.631  1.0
  Re  Re2  1  0.116  0.478  0.131  1.0
  Re  Re3  1  0.522  0.887  0.367  1.0
  Re  Re4  1  0.990  0.698  0.969  1.0
  Re  Re5  1  0.302  0.014  0.527  1.0
  Re  Re6  1  0.014  0.302  0.027  1.0
  Re  Re7  1  0.698  0.990  0.469  1.0
  Re  Re8  1  0.195  0.400  0.916  1.0
  Re  Re9  1  0.601  0.807  0.580  1.0
  Re  Re10  1  0.807  0.601  0.080  1.0
  Re  Re11  1  0.400  0.195  0.416  1.0
  Pb  Pb12  1  0.888  0.355  0.500  1.0
  Pb  Pb13  1  0.355  0.888  1.000  1.0
  Pb  Pb14  1  0.744  0.231  0.776  1.0
  Pb  Pb15  1  0.231  0.744  0.276  1.0
  S  S16  1  0.730  0.424  0.979  1.0
  S  S17  1  0.575  0.272  0.518  1.0
  S  S18  1  0.272  0.575  0.018  1.0
  S  S19  1  0.424  0.730  0.479  1.0
  S  S20  1  0.952  0.988  0.422  1.0
  S  S21  1  0.026  0.041  0.075  1.0
  S  S22  1  0.041  0.026  0.575  1.0
  S  S23  1  0.988  0.952  0.922  1.0
  S  S24  1  0.736  0.544  0.689  1.0
  S  S25  1  0.450  0.263  0.806  1.0
  S  S26  1  0.263  0.450  0.306  1.0
  S  S27  1  0.544  0.736  0.189  1.0
  S  S28  1  0.919  0.755  0.165  1.0
  S  S29  1  0.245  0.085  0.331  1.0
  S  S30  1  0.085  0.245  0.831  1.0
  S  S31  1  0.755  0.919  0.665  1.0
  S  S32  1  0.205  0.299  0.568  1.0
  S  S33  1  0.709  0.795  0.924  1.0
  S  S34  1  0.795  0.709  0.424  1.0
  S  S35  1  0.299  0.205  0.068  1.0
  S  S36  1  0.937  0.392  0.219  1.0
  S  S37  1  0.610  0.063  0.277  1.0
  S  S38  1  0.063  0.610  0.777  1.0
  S  S39  1  0.392  0.937  0.719  1.0
[/CIF]
.