The material described by Cs3Re6(SCl)7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one S(5), one S(7), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(6) atom. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one S(6), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one S(3), one S(4), one S(5), one S(6), one S(7), one Cl(1), one Cl(2), one Cl(5), one Cl(6), and one Cl(7) atom. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(2), one S(3), one S(6), one S(7), and one Cl(1) atom to form distorted ReS4Cl square pyramids that share  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(3)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the second Re site, Re(2) is bonded to one S(1), one S(4), one S(5), one Cl(2), and one Cl(7) atom to form distorted ReS3Cl2 square pyramids that share  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(3)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the third Re site, Re(3) is bonded to one S(1), one S(4), one S(6), one S(7), and one Cl(5) atom to form distorted ReS4Cl square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the fourth Re site, Re(4) is bonded to one S(2), one S(3), one S(5), one Cl(6), and one Cl(7) atom to form distorted ReS3Cl2 square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the fifth Re site, Re(5) is bonded to one S(1), one S(3), one S(5), one S(7), and one Cl(3) atom to form distorted ReS4Cl square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(3)S4Cl square pyramid. In the sixth Re site, Re(6) is bonded to one S(2), one S(4), one S(6), one Cl(4), and one Cl(7) atom to form distorted ReS3Cl2 square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(3)S4Cl square pyramid. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), and one Re(5) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Re(6) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Cs(3), one Re(1), one Re(4), and one Re(5) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Cs(3), one Re(2), one Re(3), and one Re(6) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(3), one Re(2), one Re(4), and one Re(5) atom. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one Cs(2), one Cs(3), one Re(1), one Re(3), and one Re(6) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(3), one Re(1), one Re(3), and one Re(5) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(1) atom to form distorted corner-sharing ClCs3Re tetrahedra. In the second Cl site, Cl(2) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(2) atom to form distorted corner-sharing ClCs3Re tetrahedra. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Re(5) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Re(6) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), and one Re(3) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), and one Re(4) atom. In the seventh Cl site, Cl(7) is bonded in a 4-coordinate geometry to one Cs(2), one Cs(3), one Re(2), one Re(4), and one Re(6) atom. is represented by the CIF file [CIF]
data_Cs3Re6(SCl)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.288
_cell_length_b   9.464
_cell_length_c   11.384
_cell_angle_alpha   73.378
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1371.813
_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  0.259  0.976  0.886  1.0
  Cs  Cs1  1  0.759  0.024  0.114  1.0
  Cs  Cs2  1  0.741  0.026  0.613  1.0
  Cs  Cs3  1  0.241  0.974  0.387  1.0
  Cs  Cs4  1  0.999  0.500  0.250  1.0
  Cs  Cs5  1  0.499  0.500  0.750  1.0
  Re  Re6  1  0.122  0.599  0.725  1.0
  Re  Re7  1  0.622  0.401  0.275  1.0
  Re  Re8  1  0.880  0.398  0.775  1.0
  Re  Re9  1  0.380  0.602  0.225  1.0
  Re  Re10  1  0.043  0.385  0.652  1.0
  Re  Re11  1  0.543  0.615  0.348  1.0
  Re  Re12  1  0.960  0.614  0.849  1.0
  Re  Re13  1  0.460  0.386  0.151  1.0
  Re  Re14  1  0.053  0.363  0.887  1.0
  Re  Re15  1  0.553  0.637  0.113  1.0
  Re  Re16  1  0.950  0.637  0.612  1.0
  Re  Re17  1  0.450  0.363  0.388  1.0
  S  S18  1  0.975  0.177  0.808  1.0
  S  S19  1  0.475  0.823  0.192  1.0
  S  S20  1  0.025  0.824  0.692  1.0
  S  S21  1  0.525  0.176  0.308  1.0
  S  S22  1  0.121  0.571  0.943  1.0
  S  S23  1  0.621  0.429  0.057  1.0
  S  S24  1  0.878  0.430  0.557  1.0
  S  S25  1  0.378  0.570  0.443  1.0
  S  S26  1  0.897  0.388  0.989  1.0
  S  S27  1  0.397  0.612  0.011  1.0
  S  S28  1  0.103  0.613  0.511  1.0
  S  S29  1  0.603  0.387  0.489  1.0
  S  S30  1  0.201  0.360  0.762  1.0
  S  S31  1  0.701  0.640  0.238  1.0
  Cl  Cl32  1  0.281  0.738  0.690  1.0
  Cl  Cl33  1  0.781  0.262  0.310  1.0
  Cl  Cl34  1  0.720  0.263  0.809  1.0
  Cl  Cl35  1  0.220  0.737  0.191  1.0
  Cl  Cl36  1  0.115  0.179  0.069  1.0
  Cl  Cl37  1  0.615  0.821  0.931  1.0
  Cl  Cl38  1  0.886  0.819  0.434  1.0
  Cl  Cl39  1  0.386  0.181  0.566  1.0
  Cl  Cl40  1  0.094  0.234  0.522  1.0
  Cl  Cl41  1  0.594  0.766  0.478  1.0
  Cl  Cl42  1  0.907  0.765  0.976  1.0
  Cl  Cl43  1  0.407  0.235  0.024  1.0
  Cl  Cl44  1  0.791  0.643  0.738  1.0
  Cl  Cl45  1  0.291  0.357  0.262  1.0
[/CIF]
.
The material described by Cs3Re6(SCl)7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one S(5), one S(7), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(6) atom. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one S(6), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one S(3), one S(4), one S(5), one S(6), one S(7), one Cl(1), one Cl(2), one Cl(5), one Cl(6), and one Cl(7) atom. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded to one S(2), one S(3), one S(6), one S(7), and one Cl(1) atom to form distorted ReS4Cl square pyramids that share  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(3)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the second Re site, Re(2) is bonded to one S(1), one S(4), one S(5), one Cl(2), and one Cl(7) atom to form distorted ReS3Cl2 square pyramids that share  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(3)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the third Re site, Re(3) is bonded to one S(1), one S(4), one S(6), one S(7), and one Cl(5) atom to form distorted ReS4Cl square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the fourth Re site, Re(4) is bonded to one S(2), one S(3), one S(5), one Cl(6), and one Cl(7) atom to form distorted ReS3Cl2 square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(6)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(5)S4Cl square pyramid. In the fifth Re site, Re(5) is bonded to one S(1), one S(3), one S(5), one S(7), and one Cl(3) atom to form distorted ReS4Cl square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(3)S4Cl square pyramid. In the sixth Re site, Re(6) is bonded to one S(2), one S(4), one S(6), one Cl(4), and one Cl(7) atom to form distorted ReS3Cl2 square pyramids that share  an edgeedge with one Re(2)S3Cl2 square pyramid,  an edgeedge with one Re(4)S3Cl2 square pyramid,  an edgeedge with one Re(1)S4Cl square pyramid, and  an edgeedge with one Re(3)S4Cl square pyramid. There are seven inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), and one Re(5) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Re(1), one Re(4), and one Re(6) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Cs(3), one Re(1), one Re(4), and one Re(5) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Cs(3), one Re(2), one Re(3), and one Re(6) atom. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(3), one Re(2), one Re(4), and one Re(5) atom. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one Cs(2), one Cs(3), one Re(1), one Re(3), and one Re(6) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(3), one Re(1), one Re(3), and one Re(5) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(1) atom to form distorted corner-sharing ClCs3Re tetrahedra. In the second Cl site, Cl(2) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(2) atom to form distorted corner-sharing ClCs3Re tetrahedra. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Re(5) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Re(6) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), and one Re(3) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), and one Re(4) atom. In the seventh Cl site, Cl(7) is bonded in a 4-coordinate geometry to one Cs(2), one Cs(3), one Re(2), one Re(4), and one Re(6) atom. is represented by the CIF file [CIF]
data_Cs3Re6(SCl)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.288
_cell_length_b   9.464
_cell_length_c   11.384
_cell_angle_alpha   73.378
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1371.813
_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  0.259  0.976  0.886  1.0
  Cs  Cs1  1  0.759  0.024  0.114  1.0
  Cs  Cs2  1  0.741  0.026  0.613  1.0
  Cs  Cs3  1  0.241  0.974  0.387  1.0
  Cs  Cs4  1  0.999  0.500  0.250  1.0
  Cs  Cs5  1  0.499  0.500  0.750  1.0
  Re  Re6  1  0.122  0.599  0.725  1.0
  Re  Re7  1  0.622  0.401  0.275  1.0
  Re  Re8  1  0.880  0.398  0.775  1.0
  Re  Re9  1  0.380  0.602  0.225  1.0
  Re  Re10  1  0.043  0.385  0.652  1.0
  Re  Re11  1  0.543  0.615  0.348  1.0
  Re  Re12  1  0.960  0.614  0.849  1.0
  Re  Re13  1  0.460  0.386  0.151  1.0
  Re  Re14  1  0.053  0.363  0.887  1.0
  Re  Re15  1  0.553  0.637  0.113  1.0
  Re  Re16  1  0.950  0.637  0.612  1.0
  Re  Re17  1  0.450  0.363  0.388  1.0
  S  S18  1  0.975  0.177  0.808  1.0
  S  S19  1  0.475  0.823  0.192  1.0
  S  S20  1  0.025  0.824  0.692  1.0
  S  S21  1  0.525  0.176  0.308  1.0
  S  S22  1  0.121  0.571  0.943  1.0
  S  S23  1  0.621  0.429  0.057  1.0
  S  S24  1  0.878  0.430  0.557  1.0
  S  S25  1  0.378  0.570  0.443  1.0
  S  S26  1  0.897  0.388  0.989  1.0
  S  S27  1  0.397  0.612  0.011  1.0
  S  S28  1  0.103  0.613  0.511  1.0
  S  S29  1  0.603  0.387  0.489  1.0
  S  S30  1  0.201  0.360  0.762  1.0
  S  S31  1  0.701  0.640  0.238  1.0
  Cl  Cl32  1  0.281  0.738  0.690  1.0
  Cl  Cl33  1  0.781  0.262  0.310  1.0
  Cl  Cl34  1  0.720  0.263  0.809  1.0
  Cl  Cl35  1  0.220  0.737  0.191  1.0
  Cl  Cl36  1  0.115  0.179  0.069  1.0
  Cl  Cl37  1  0.615  0.821  0.931  1.0
  Cl  Cl38  1  0.886  0.819  0.434  1.0
  Cl  Cl39  1  0.386  0.181  0.566  1.0
  Cl  Cl40  1  0.094  0.234  0.522  1.0
  Cl  Cl41  1  0.594  0.766  0.478  1.0
  Cl  Cl42  1  0.907  0.765  0.976  1.0
  Cl  Cl43  1  0.407  0.235  0.024  1.0
  Cl  Cl44  1  0.791  0.643  0.738  1.0
  Cl  Cl45  1  0.291  0.357  0.262  1.0
[/CIF]
.