The compound described by Cu2(ReS2)3 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 S(1), one S(2), one S(3), one S(4), and one S(5) atom to form edge-sharing ReS5 square pyramids. In the second Re site, Re(2) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form a mixture of corner and edge-sharing ReS5 square pyramids. In the third Re site, Re(3) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form a mixture of corner and edge-sharing ReS5 square pyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent S(6) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. In the third Cu site, Cu(3) is bonded in a bent 150 degrees geometry to one S(1) and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Re(1), one Cu(2), one Cu(3), and one S(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Cu(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the sixth S site, S(6) is bonded to one Re(2), one Re(3), one Cu(1), and one Cu(3) atom to form distorted corner-sharing SCu2Re2 tetrahedra. is represented by the CIF file [CIF]
data_Cu2(ReS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.338
_cell_length_b   9.338
_cell_length_c   11.773
_cell_angle_alpha   87.807
_cell_angle_beta   87.807
_cell_angle_gamma   61.694
_symmetry_Int_Tables_number   1
_cell_volume   902.912
_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
  Cu  Cu0  1  0.604  0.396  0.250  1.0
  Cu  Cu1  1  0.396  0.604  0.750  1.0
  Cu  Cu2  1  0.907  0.093  0.250  1.0
  Cu  Cu3  1  0.093  0.907  0.750  1.0
  Cu  Cu4  1  0.869  0.316  0.099  1.0
  Cu  Cu5  1  0.684  0.131  0.401  1.0
  Cu  Cu6  1  0.131  0.684  0.901  1.0
  Cu  Cu7  1  0.316  0.869  0.599  1.0
  Re  Re8  1  0.981  0.702  0.466  1.0
  Re  Re9  1  0.298  0.019  0.034  1.0
  Re  Re10  1  0.019  0.298  0.534  1.0
  Re  Re11  1  0.702  0.981  0.966  1.0
  Re  Re12  1  0.883  0.518  0.372  1.0
  Re  Re13  1  0.482  0.117  0.128  1.0
  Re  Re14  1  0.117  0.482  0.628  1.0
  Re  Re15  1  0.518  0.883  0.872  1.0
  Re  Re16  1  0.194  0.404  0.414  1.0
  Re  Re17  1  0.596  0.806  0.086  1.0
  Re  Re18  1  0.806  0.596  0.586  1.0
  Re  Re19  1  0.404  0.194  0.914  1.0
  S  S20  1  0.973  0.945  0.926  1.0
  S  S21  1  0.055  0.027  0.574  1.0
  S  S22  1  0.027  0.055  0.074  1.0
  S  S23  1  0.945  0.973  0.426  1.0
  S  S24  1  0.919  0.757  0.666  1.0
  S  S25  1  0.243  0.081  0.834  1.0
  S  S26  1  0.081  0.243  0.334  1.0
  S  S27  1  0.757  0.919  0.166  1.0
  S  S28  1  0.209  0.304  0.069  1.0
  S  S29  1  0.696  0.791  0.431  1.0
  S  S30  1  0.791  0.696  0.931  1.0
  S  S31  1  0.304  0.209  0.569  1.0
  S  S32  1  0.945  0.387  0.727  1.0
  S  S33  1  0.613  0.055  0.773  1.0
  S  S34  1  0.055  0.613  0.273  1.0
  S  S35  1  0.387  0.945  0.227  1.0
  S  S36  1  0.733  0.414  0.493  1.0
  S  S37  1  0.586  0.267  0.007  1.0
  S  S38  1  0.267  0.586  0.507  1.0
  S  S39  1  0.414  0.733  0.993  1.0
  S  S40  1  0.728  0.538  0.197  1.0
  S  S41  1  0.462  0.272  0.303  1.0
  S  S42  1  0.272  0.462  0.803  1.0
  S  S43  1  0.538  0.728  0.697  1.0
[/CIF]
.
The compound described by Cu2(ReS2)3 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 S(1), one S(2), one S(3), one S(4), and one S(5) atom to form edge-sharing ReS5 square pyramids. In the second Re site, Re(2) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form a mixture of corner and edge-sharing ReS5 square pyramids. In the third Re site, Re(3) is bonded to one S(2), one S(3), one S(4), one S(5), and one S(6) atom to form a mixture of corner and edge-sharing ReS5 square pyramids. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent S(6) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. In the third Cu site, Cu(3) is bonded in a bent 150 degrees geometry to one S(1) and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Re(1), one Cu(2), one Cu(3), and one S(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Cu(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. In the sixth S site, S(6) is bonded to one Re(2), one Re(3), one Cu(1), and one Cu(3) atom to form distorted corner-sharing SCu2Re2 tetrahedra. is represented by the CIF file [CIF]
data_Cu2(ReS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.338
_cell_length_b   9.338
_cell_length_c   11.773
_cell_angle_alpha   87.807
_cell_angle_beta   87.807
_cell_angle_gamma   61.694
_symmetry_Int_Tables_number   1
_cell_volume   902.912
_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
  Cu  Cu0  1  0.604  0.396  0.250  1.0
  Cu  Cu1  1  0.396  0.604  0.750  1.0
  Cu  Cu2  1  0.907  0.093  0.250  1.0
  Cu  Cu3  1  0.093  0.907  0.750  1.0
  Cu  Cu4  1  0.869  0.316  0.099  1.0
  Cu  Cu5  1  0.684  0.131  0.401  1.0
  Cu  Cu6  1  0.131  0.684  0.901  1.0
  Cu  Cu7  1  0.316  0.869  0.599  1.0
  Re  Re8  1  0.981  0.702  0.466  1.0
  Re  Re9  1  0.298  0.019  0.034  1.0
  Re  Re10  1  0.019  0.298  0.534  1.0
  Re  Re11  1  0.702  0.981  0.966  1.0
  Re  Re12  1  0.883  0.518  0.372  1.0
  Re  Re13  1  0.482  0.117  0.128  1.0
  Re  Re14  1  0.117  0.482  0.628  1.0
  Re  Re15  1  0.518  0.883  0.872  1.0
  Re  Re16  1  0.194  0.404  0.414  1.0
  Re  Re17  1  0.596  0.806  0.086  1.0
  Re  Re18  1  0.806  0.596  0.586  1.0
  Re  Re19  1  0.404  0.194  0.914  1.0
  S  S20  1  0.973  0.945  0.926  1.0
  S  S21  1  0.055  0.027  0.574  1.0
  S  S22  1  0.027  0.055  0.074  1.0
  S  S23  1  0.945  0.973  0.426  1.0
  S  S24  1  0.919  0.757  0.666  1.0
  S  S25  1  0.243  0.081  0.834  1.0
  S  S26  1  0.081  0.243  0.334  1.0
  S  S27  1  0.757  0.919  0.166  1.0
  S  S28  1  0.209  0.304  0.069  1.0
  S  S29  1  0.696  0.791  0.431  1.0
  S  S30  1  0.791  0.696  0.931  1.0
  S  S31  1  0.304  0.209  0.569  1.0
  S  S32  1  0.945  0.387  0.727  1.0
  S  S33  1  0.613  0.055  0.773  1.0
  S  S34  1  0.055  0.613  0.273  1.0
  S  S35  1  0.387  0.945  0.227  1.0
  S  S36  1  0.733  0.414  0.493  1.0
  S  S37  1  0.586  0.267  0.007  1.0
  S  S38  1  0.267  0.586  0.507  1.0
  S  S39  1  0.414  0.733  0.993  1.0
  S  S40  1  0.728  0.538  0.197  1.0
  S  S41  1  0.462  0.272  0.303  1.0
  S  S42  1  0.272  0.462  0.803  1.0
  S  S43  1  0.538  0.728  0.697  1.0
[/CIF]
.