The structure described by Cs5Re6S8Cl7 crystallizes in the trigonal R3c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to three equivalent S(1), three equivalent S(2), one Cl(3), and three equivalent Cl(2) atoms. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to three equivalent S(1), three equivalent S(2), and three equivalent Cl(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(2) is bonded to one S(1), one S(4), two equivalent S(2), and one Cl(2) atom to form distorted edge-sharing ReS4Cl square pyramids. In the second Re site, Re(1) is bonded to one S(2), one S(3), two equivalent S(1), and one Cl(1) atom to form distorted edge-sharing ReS4Cl square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Re(2), and two equivalent Re(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Re(1), and two equivalent Re(2) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(2) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), and one Re(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Re(2) atom. In the third Cl site, Cl(3) is bonded in a tetrahedral geometry to one Cs(2) and three equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5Re6S8Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.280
_cell_length_b   19.280
_cell_length_c   19.280
_cell_angle_alpha   30.277
_cell_angle_beta   30.277
_cell_angle_gamma   30.277
_symmetry_Int_Tables_number   1
_cell_volume   1614.288
_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  0.561  0.939  0.250  1.0
  Cs  Cs1  1  0.250  0.561  0.939  1.0
  Cs  Cs2  1  0.939  0.250  0.561  1.0
  Cs  Cs3  1  0.750  0.439  0.061  1.0
  Cs  Cs4  1  0.061  0.750  0.439  1.0
  Cs  Cs5  1  0.439  0.061  0.750  1.0
  Cs  Cs6  1  0.837  0.837  0.837  1.0
  Cs  Cs7  1  0.337  0.337  0.337  1.0
  Cs  Cs8  1  0.162  0.162  0.162  1.0
  Cs  Cs9  1  0.662  0.662  0.662  1.0
  Re  Re10  1  0.461  0.640  0.341  1.0
  Re  Re11  1  0.341  0.461  0.640  1.0
  Re  Re12  1  0.640  0.341  0.461  1.0
  Re  Re13  1  0.841  0.140  0.961  1.0
  Re  Re14  1  0.961  0.841  0.140  1.0
  Re  Re15  1  0.140  0.961  0.841  1.0
  Re  Re16  1  0.539  0.360  0.659  1.0
  Re  Re17  1  0.659  0.539  0.360  1.0
  Re  Re18  1  0.360  0.659  0.539  1.0
  Re  Re19  1  0.159  0.860  0.039  1.0
  Re  Re20  1  0.039  0.159  0.860  1.0
  Re  Re21  1  0.860  0.039  0.159  1.0
  S  S22  1  0.188  0.740  0.518  1.0
  S  S23  1  0.518  0.188  0.740  1.0
  S  S24  1  0.740  0.518  0.188  1.0
  S  S25  1  0.018  0.240  0.688  1.0
  S  S26  1  0.688  0.018  0.240  1.0
  S  S27  1  0.240  0.688  0.018  1.0
  S  S28  1  0.812  0.260  0.482  1.0
  S  S29  1  0.482  0.812  0.260  1.0
  S  S30  1  0.260  0.482  0.812  1.0
  S  S31  1  0.982  0.760  0.312  1.0
  S  S32  1  0.312  0.982  0.760  1.0
  S  S33  1  0.760  0.312  0.982  1.0
  S  S34  1  0.446  0.446  0.446  1.0
  S  S35  1  0.946  0.946  0.946  1.0
  S  S36  1  0.554  0.554  0.554  1.0
  S  S37  1  0.054  0.054  0.054  1.0
  Cl  Cl38  1  0.402  0.826  0.137  1.0
  Cl  Cl39  1  0.137  0.402  0.826  1.0
  Cl  Cl40  1  0.826  0.137  0.402  1.0
  Cl  Cl41  1  0.637  0.326  0.902  1.0
  Cl  Cl42  1  0.902  0.637  0.326  1.0
  Cl  Cl43  1  0.326  0.902  0.637  1.0
  Cl  Cl44  1  0.594  0.175  0.867  1.0
  Cl  Cl45  1  0.867  0.594  0.175  1.0
  Cl  Cl46  1  0.175  0.867  0.594  1.0
  Cl  Cl47  1  0.367  0.675  0.094  1.0
  Cl  Cl48  1  0.094  0.367  0.675  1.0
  Cl  Cl49  1  0.675  0.094  0.367  1.0
  Cl  Cl50  1  0.770  0.770  0.770  1.0
  Cl  Cl51  1  0.270  0.270  0.270  1.0
[/CIF]
.
The structure described by Cs5Re6S8Cl7 crystallizes in the trigonal R3c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to three equivalent S(1), three equivalent S(2), one Cl(3), and three equivalent Cl(2) atoms. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to three equivalent S(1), three equivalent S(2), and three equivalent Cl(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(2) is bonded to one S(1), one S(4), two equivalent S(2), and one Cl(2) atom to form distorted edge-sharing ReS4Cl square pyramids. In the second Re site, Re(1) is bonded to one S(2), one S(3), two equivalent S(1), and one Cl(1) atom to form distorted edge-sharing ReS4Cl square pyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Re(2), and two equivalent Re(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Re(1), and two equivalent Re(2) atoms. In the third S site, S(3) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(1) atoms. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to three equivalent Cs(1) and three equivalent Re(2) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), and one Re(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Re(2) atom. In the third Cl site, Cl(3) is bonded in a tetrahedral geometry to one Cs(2) and three equivalent Cs(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5Re6S8Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.280
_cell_length_b   19.280
_cell_length_c   19.280
_cell_angle_alpha   30.277
_cell_angle_beta   30.277
_cell_angle_gamma   30.277
_symmetry_Int_Tables_number   1
_cell_volume   1614.288
_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  0.561  0.939  0.250  1.0
  Cs  Cs1  1  0.250  0.561  0.939  1.0
  Cs  Cs2  1  0.939  0.250  0.561  1.0
  Cs  Cs3  1  0.750  0.439  0.061  1.0
  Cs  Cs4  1  0.061  0.750  0.439  1.0
  Cs  Cs5  1  0.439  0.061  0.750  1.0
  Cs  Cs6  1  0.837  0.837  0.837  1.0
  Cs  Cs7  1  0.337  0.337  0.337  1.0
  Cs  Cs8  1  0.162  0.162  0.162  1.0
  Cs  Cs9  1  0.662  0.662  0.662  1.0
  Re  Re10  1  0.461  0.640  0.341  1.0
  Re  Re11  1  0.341  0.461  0.640  1.0
  Re  Re12  1  0.640  0.341  0.461  1.0
  Re  Re13  1  0.841  0.140  0.961  1.0
  Re  Re14  1  0.961  0.841  0.140  1.0
  Re  Re15  1  0.140  0.961  0.841  1.0
  Re  Re16  1  0.539  0.360  0.659  1.0
  Re  Re17  1  0.659  0.539  0.360  1.0
  Re  Re18  1  0.360  0.659  0.539  1.0
  Re  Re19  1  0.159  0.860  0.039  1.0
  Re  Re20  1  0.039  0.159  0.860  1.0
  Re  Re21  1  0.860  0.039  0.159  1.0
  S  S22  1  0.188  0.740  0.518  1.0
  S  S23  1  0.518  0.188  0.740  1.0
  S  S24  1  0.740  0.518  0.188  1.0
  S  S25  1  0.018  0.240  0.688  1.0
  S  S26  1  0.688  0.018  0.240  1.0
  S  S27  1  0.240  0.688  0.018  1.0
  S  S28  1  0.812  0.260  0.482  1.0
  S  S29  1  0.482  0.812  0.260  1.0
  S  S30  1  0.260  0.482  0.812  1.0
  S  S31  1  0.982  0.760  0.312  1.0
  S  S32  1  0.312  0.982  0.760  1.0
  S  S33  1  0.760  0.312  0.982  1.0
  S  S34  1  0.446  0.446  0.446  1.0
  S  S35  1  0.946  0.946  0.946  1.0
  S  S36  1  0.554  0.554  0.554  1.0
  S  S37  1  0.054  0.054  0.054  1.0
  Cl  Cl38  1  0.402  0.826  0.137  1.0
  Cl  Cl39  1  0.137  0.402  0.826  1.0
  Cl  Cl40  1  0.826  0.137  0.402  1.0
  Cl  Cl41  1  0.637  0.326  0.902  1.0
  Cl  Cl42  1  0.902  0.637  0.326  1.0
  Cl  Cl43  1  0.326  0.902  0.637  1.0
  Cl  Cl44  1  0.594  0.175  0.867  1.0
  Cl  Cl45  1  0.867  0.594  0.175  1.0
  Cl  Cl46  1  0.175  0.867  0.594  1.0
  Cl  Cl47  1  0.367  0.675  0.094  1.0
  Cl  Cl48  1  0.094  0.367  0.675  1.0
  Cl  Cl49  1  0.675  0.094  0.367  1.0
  Cl  Cl50  1  0.770  0.770  0.770  1.0
  Cl  Cl51  1  0.270  0.270  0.270  1.0
[/CIF]
.