The compound described by Re3(PbSe3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(5) atom to form a mixture of distorted corner and edge-sharing ReSe5 square pyramids. In the second Re site, Re(2) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(5) atom to form a mixture of distorted corner and edge-sharing ReSe5 square pyramids. In the third Re site, Re(3) is bonded to one Se(1), one Se(3), one Se(4), one Se(5), and one Se(6) atom to form distorted edge-sharing ReSe5 square pyramids. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a water-like geometry to two equivalent Se(2) atoms. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one Se(2) and one Se(6) atom. In the third Pb site, Pb(3) is bonded in a distorted L-shaped geometry to two equivalent Se(2), two equivalent Se(3), and two equivalent Se(6) atoms. There are six inequivalent Se sites. In the first Se site, Se(5) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the third Se site, Se(2) is bonded in a 5-coordinate geometry to one Re(1), one Re(2), one Pb(1), one Pb(2), and one Pb(3) atom. In the fourth Se site, Se(3) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Pb(3) atom. In the fifth Se site, Se(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Re(3), one Pb(2), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re3(PbSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.068
_cell_length_b   10.068
_cell_length_c   12.437
_cell_angle_alpha   91.398
_cell_angle_beta   91.398
_cell_angle_gamma   59.473
_symmetry_Int_Tables_number   1
_cell_volume   1085.437
_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  0.486  0.108  0.873  1.0
  Re  Re1  1  0.514  0.892  0.127  1.0
  Re  Re2  1  0.892  0.514  0.627  1.0
  Re  Re3  1  0.108  0.486  0.373  1.0
  Re  Re4  1  0.603  0.812  0.923  1.0
  Re  Re5  1  0.397  0.188  0.077  1.0
  Re  Re6  1  0.188  0.397  0.577  1.0
  Re  Re7  1  0.812  0.603  0.423  1.0
  Re  Re8  1  0.312  0.016  0.963  1.0
  Re  Re9  1  0.688  0.984  0.037  1.0
  Re  Re10  1  0.984  0.688  0.537  1.0
  Re  Re11  1  0.016  0.312  0.463  1.0
  Pb  Pb12  1  0.412  0.588  0.750  1.0
  Pb  Pb13  1  0.588  0.412  0.250  1.0
  Pb  Pb14  1  0.664  0.119  0.494  1.0
  Pb  Pb15  1  0.336  0.881  0.506  1.0
  Pb  Pb16  1  0.881  0.336  0.006  1.0
  Pb  Pb17  1  0.119  0.664  0.994  1.0
  Pb  Pb18  1  0.811  0.189  0.750  1.0
  Pb  Pb19  1  0.189  0.811  0.250  1.0
  Se  Se20  1  0.406  0.934  0.772  1.0
  Se  Se21  1  0.594  0.066  0.228  1.0
  Se  Se22  1  0.066  0.594  0.728  1.0
  Se  Se23  1  0.934  0.406  0.272  1.0
  Se  Se24  1  0.455  0.268  0.691  1.0
  Se  Se25  1  0.545  0.732  0.309  1.0
  Se  Se26  1  0.732  0.545  0.809  1.0
  Se  Se27  1  0.268  0.455  0.191  1.0
  Se  Se28  1  0.767  0.908  0.841  1.0
  Se  Se29  1  0.233  0.092  0.159  1.0
  Se  Se30  1  0.092  0.233  0.659  1.0
  Se  Se31  1  0.908  0.767  0.341  1.0
  Se  Se32  1  0.574  0.269  0.985  1.0
  Se  Se33  1  0.426  0.731  0.015  1.0
  Se  Se34  1  0.731  0.426  0.515  1.0
  Se  Se35  1  0.269  0.574  0.485  1.0
  Se  Se36  1  0.698  0.795  0.577  1.0
  Se  Se37  1  0.302  0.205  0.423  1.0
  Se  Se38  1  0.205  0.302  0.923  1.0
  Se  Se39  1  0.795  0.698  0.077  1.0
  Se  Se40  1  0.056  0.039  0.896  1.0
  Se  Se41  1  0.944  0.961  0.104  1.0
  Se  Se42  1  0.961  0.944  0.604  1.0
  Se  Se43  1  0.039  0.056  0.396  1.0
[/CIF]
.
The compound described by Re3(PbSe3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(5) atom to form a mixture of distorted corner and edge-sharing ReSe5 square pyramids. In the second Re site, Re(2) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(5) atom to form a mixture of distorted corner and edge-sharing ReSe5 square pyramids. In the third Re site, Re(3) is bonded to one Se(1), one Se(3), one Se(4), one Se(5), and one Se(6) atom to form distorted edge-sharing ReSe5 square pyramids. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a water-like geometry to two equivalent Se(2) atoms. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one Se(2) and one Se(6) atom. In the third Pb site, Pb(3) is bonded in a distorted L-shaped geometry to two equivalent Se(2), two equivalent Se(3), and two equivalent Se(6) atoms. There are six inequivalent Se sites. In the first Se site, Se(5) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the third Se site, Se(2) is bonded in a 5-coordinate geometry to one Re(1), one Re(2), one Pb(1), one Pb(2), and one Pb(3) atom. In the fourth Se site, Se(3) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Pb(3) atom. In the fifth Se site, Se(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Re(3), one Pb(2), and one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re3(PbSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.068
_cell_length_b   10.068
_cell_length_c   12.437
_cell_angle_alpha   91.398
_cell_angle_beta   91.398
_cell_angle_gamma   59.473
_symmetry_Int_Tables_number   1
_cell_volume   1085.437
_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  0.486  0.108  0.873  1.0
  Re  Re1  1  0.514  0.892  0.127  1.0
  Re  Re2  1  0.892  0.514  0.627  1.0
  Re  Re3  1  0.108  0.486  0.373  1.0
  Re  Re4  1  0.603  0.812  0.923  1.0
  Re  Re5  1  0.397  0.188  0.077  1.0
  Re  Re6  1  0.188  0.397  0.577  1.0
  Re  Re7  1  0.812  0.603  0.423  1.0
  Re  Re8  1  0.312  0.016  0.963  1.0
  Re  Re9  1  0.688  0.984  0.037  1.0
  Re  Re10  1  0.984  0.688  0.537  1.0
  Re  Re11  1  0.016  0.312  0.463  1.0
  Pb  Pb12  1  0.412  0.588  0.750  1.0
  Pb  Pb13  1  0.588  0.412  0.250  1.0
  Pb  Pb14  1  0.664  0.119  0.494  1.0
  Pb  Pb15  1  0.336  0.881  0.506  1.0
  Pb  Pb16  1  0.881  0.336  0.006  1.0
  Pb  Pb17  1  0.119  0.664  0.994  1.0
  Pb  Pb18  1  0.811  0.189  0.750  1.0
  Pb  Pb19  1  0.189  0.811  0.250  1.0
  Se  Se20  1  0.406  0.934  0.772  1.0
  Se  Se21  1  0.594  0.066  0.228  1.0
  Se  Se22  1  0.066  0.594  0.728  1.0
  Se  Se23  1  0.934  0.406  0.272  1.0
  Se  Se24  1  0.455  0.268  0.691  1.0
  Se  Se25  1  0.545  0.732  0.309  1.0
  Se  Se26  1  0.732  0.545  0.809  1.0
  Se  Se27  1  0.268  0.455  0.191  1.0
  Se  Se28  1  0.767  0.908  0.841  1.0
  Se  Se29  1  0.233  0.092  0.159  1.0
  Se  Se30  1  0.092  0.233  0.659  1.0
  Se  Se31  1  0.908  0.767  0.341  1.0
  Se  Se32  1  0.574  0.269  0.985  1.0
  Se  Se33  1  0.426  0.731  0.015  1.0
  Se  Se34  1  0.731  0.426  0.515  1.0
  Se  Se35  1  0.269  0.574  0.485  1.0
  Se  Se36  1  0.698  0.795  0.577  1.0
  Se  Se37  1  0.302  0.205  0.423  1.0
  Se  Se38  1  0.205  0.302  0.923  1.0
  Se  Se39  1  0.795  0.698  0.077  1.0
  Se  Se40  1  0.056  0.039  0.896  1.0
  Se  Se41  1  0.944  0.961  0.104  1.0
  Se  Se42  1  0.961  0.944  0.604  1.0
  Se  Se43  1  0.039  0.056  0.396  1.0
[/CIF]
.