The compound described by Cs4Re6S13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent S(3), two equivalent S(5), and two equivalent S(6) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(7) atom. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form edge-sharing ReS5 square pyramids. In the second Re site, Re(2) is bonded to one S(2), one S(4), one S(5), one S(6), and one S(7) 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(1), one S(4), one S(5), one S(6), and one S(7) atom to form distorted edge-sharing ReS5 square pyramids. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Cs(2), one Re(3), and one S(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(2) and two equivalent Re(2) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), and one S(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Cs(2), one Re(1), one Re(2), and one Re(3) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the sixth S site, S(6) is bonded to two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom to form distorted edge-sharing SCs2Re3 square pyramids. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Cs(2), one Re(1), one Re(2), and one Re(3) atom. is represented by the CIF card [CIF]
data_Cs4Re6S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.007
_cell_length_b   10.007
_cell_length_c   13.798
_cell_angle_alpha   84.742
_cell_angle_beta   84.742
_cell_angle_gamma   119.351
_symmetry_Int_Tables_number   1
_cell_volume   1184.405
_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
  Cs  Cs0  1  0.092  0.341  0.587  1.0
  Cs  Cs1  1  0.908  0.659  0.413  1.0
  Cs  Cs2  1  0.659  0.908  0.913  1.0
  Cs  Cs3  1  0.341  0.092  0.087  1.0
  Cs  Cs4  1  0.724  0.683  0.715  1.0
  Cs  Cs5  1  0.683  0.724  0.215  1.0
  Cs  Cs6  1  0.317  0.276  0.785  1.0
  Cs  Cs7  1  0.276  0.317  0.285  1.0
  Re  Re8  1  0.996  0.311  0.022  1.0
  Re  Re9  1  0.689  0.004  0.478  1.0
  Re  Re10  1  0.153  0.565  0.891  1.0
  Re  Re11  1  0.417  0.849  0.421  1.0
  Re  Re12  1  0.565  0.153  0.391  1.0
  Re  Re13  1  0.435  0.847  0.609  1.0
  Re  Re14  1  0.847  0.435  0.109  1.0
  Re  Re15  1  0.151  0.583  0.079  1.0
  Re  Re16  1  0.849  0.417  0.921  1.0
  Re  Re17  1  0.311  0.996  0.522  1.0
  Re  Re18  1  0.583  0.151  0.579  1.0
  Re  Re19  1  0.004  0.689  0.978  1.0
  S  S20  1  0.721  0.358  0.674  1.0
  S  S21  1  0.641  0.359  0.250  1.0
  S  S22  1  0.953  0.024  0.439  1.0
  S  S23  1  0.278  0.462  0.995  1.0
  S  S24  1  0.005  0.691  0.153  1.0
  S  S25  1  0.538  0.722  0.505  1.0
  S  S26  1  0.358  0.721  0.174  1.0
  S  S27  1  0.995  0.309  0.847  1.0
  S  S28  1  0.691  0.005  0.653  1.0
  S  S29  1  0.462  0.278  0.495  1.0
  S  S30  1  0.024  0.953  0.939  1.0
  S  S31  1  0.808  0.282  0.451  1.0
  S  S32  1  0.192  0.718  0.549  1.0
  S  S33  1  0.279  0.642  0.326  1.0
  S  S34  1  0.309  0.995  0.347  1.0
  S  S35  1  0.047  0.976  0.561  1.0
  S  S36  1  0.642  0.279  0.826  1.0
  S  S37  1  0.992  0.344  0.193  1.0
  S  S38  1  0.344  0.992  0.693  1.0
  S  S39  1  0.722  0.538  0.005  1.0
  S  S40  1  0.359  0.641  0.750  1.0
  S  S41  1  0.008  0.656  0.807  1.0
  S  S42  1  0.656  0.008  0.307  1.0
  S  S43  1  0.718  0.192  0.049  1.0
  S  S44  1  0.976  0.047  0.061  1.0
  S  S45  1  0.282  0.808  0.951  1.0
[/CIF]
.
The compound described by Cs4Re6S13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to two equivalent S(3), two equivalent S(5), and two equivalent S(6) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), and one S(7) atom. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(3), one S(4), one S(5), one S(6), and one S(7) atom to form edge-sharing ReS5 square pyramids. In the second Re site, Re(2) is bonded to one S(2), one S(4), one S(5), one S(6), and one S(7) 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(1), one S(4), one S(5), one S(6), and one S(7) atom to form distorted edge-sharing ReS5 square pyramids. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Cs(2), one Re(3), and one S(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(2) and two equivalent Re(2) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), and one S(3) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Cs(2), one Re(1), one Re(2), and one Re(3) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the sixth S site, S(6) is bonded to two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom to form distorted edge-sharing SCs2Re3 square pyramids. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Cs(2), one Re(1), one Re(2), and one Re(3) atom. is represented by the CIF card [CIF]
data_Cs4Re6S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.007
_cell_length_b   10.007
_cell_length_c   13.798
_cell_angle_alpha   84.742
_cell_angle_beta   84.742
_cell_angle_gamma   119.351
_symmetry_Int_Tables_number   1
_cell_volume   1184.405
_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
  Cs  Cs0  1  0.092  0.341  0.587  1.0
  Cs  Cs1  1  0.908  0.659  0.413  1.0
  Cs  Cs2  1  0.659  0.908  0.913  1.0
  Cs  Cs3  1  0.341  0.092  0.087  1.0
  Cs  Cs4  1  0.724  0.683  0.715  1.0
  Cs  Cs5  1  0.683  0.724  0.215  1.0
  Cs  Cs6  1  0.317  0.276  0.785  1.0
  Cs  Cs7  1  0.276  0.317  0.285  1.0
  Re  Re8  1  0.996  0.311  0.022  1.0
  Re  Re9  1  0.689  0.004  0.478  1.0
  Re  Re10  1  0.153  0.565  0.891  1.0
  Re  Re11  1  0.417  0.849  0.421  1.0
  Re  Re12  1  0.565  0.153  0.391  1.0
  Re  Re13  1  0.435  0.847  0.609  1.0
  Re  Re14  1  0.847  0.435  0.109  1.0
  Re  Re15  1  0.151  0.583  0.079  1.0
  Re  Re16  1  0.849  0.417  0.921  1.0
  Re  Re17  1  0.311  0.996  0.522  1.0
  Re  Re18  1  0.583  0.151  0.579  1.0
  Re  Re19  1  0.004  0.689  0.978  1.0
  S  S20  1  0.721  0.358  0.674  1.0
  S  S21  1  0.641  0.359  0.250  1.0
  S  S22  1  0.953  0.024  0.439  1.0
  S  S23  1  0.278  0.462  0.995  1.0
  S  S24  1  0.005  0.691  0.153  1.0
  S  S25  1  0.538  0.722  0.505  1.0
  S  S26  1  0.358  0.721  0.174  1.0
  S  S27  1  0.995  0.309  0.847  1.0
  S  S28  1  0.691  0.005  0.653  1.0
  S  S29  1  0.462  0.278  0.495  1.0
  S  S30  1  0.024  0.953  0.939  1.0
  S  S31  1  0.808  0.282  0.451  1.0
  S  S32  1  0.192  0.718  0.549  1.0
  S  S33  1  0.279  0.642  0.326  1.0
  S  S34  1  0.309  0.995  0.347  1.0
  S  S35  1  0.047  0.976  0.561  1.0
  S  S36  1  0.642  0.279  0.826  1.0
  S  S37  1  0.992  0.344  0.193  1.0
  S  S38  1  0.344  0.992  0.693  1.0
  S  S39  1  0.722  0.538  0.005  1.0
  S  S40  1  0.359  0.641  0.750  1.0
  S  S41  1  0.008  0.656  0.807  1.0
  S  S42  1  0.656  0.008  0.307  1.0
  S  S43  1  0.718  0.192  0.049  1.0
  S  S44  1  0.976  0.047  0.061  1.0
  S  S45  1  0.282  0.808  0.951  1.0
[/CIF]
.