The material structure described by Cs3Re6Se8(OCl3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one Se(1), one Se(3), one Se(4), two equivalent Se(2), one O(1), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded to two equivalent Se(1), two equivalent Se(3), two equivalent Se(4), two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(3) atoms to form distorted CsSe6Cl4O2 cuboctahedra that share corners with two equivalent Re(2)Se4Cl square pyramids, corners with two equivalent Re(3)Se4Cl square pyramids, corners with four equivalent Re(1)Se4Cl square pyramids, edges with two equivalent Re(1)Se4Cl square pyramids, edges with two equivalent Re(2)Se4Cl square pyramids, and faces with two equivalent Re(3)Se4Cl square pyramids. 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 Cl(1) atom to form distorted ReSe4Cl square pyramids that share corners with two equivalent Cs(2)Se6Cl4O2 cuboctahedra,  an edgeedge with one Cs(2)Se6Cl4O2 cuboctahedra, edges with two equivalent Re(2)Se4Cl square pyramids, and edges with two equivalent Re(3)Se4Cl 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 Cl(2) atom to form distorted ReSe4Cl square pyramids that share  a cornercorner with one Cs(2)Se6Cl4O2 cuboctahedra,  an edgeedge with one Cs(2)Se6Cl4O2 cuboctahedra, edges with two equivalent Re(1)Se4Cl square pyramids, and edges with two equivalent Re(3)Se4Cl square pyramids. In the third Re site, Re(3) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Cl(3) atom to form distorted ReSe4Cl square pyramids that share  a cornercorner with one Cs(2)Se6Cl4O2 cuboctahedra, edges with two equivalent Re(1)Se4Cl square pyramids, edges with two equivalent Re(2)Se4Cl square pyramids, and  a faceface with one Cs(2)Se6Cl4O2 cuboctahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Re(1), one Re(2), and one Re(3) atom. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Re(1), one Re(2), and one Re(3) atom. O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1) and one Cs(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Cs(2), 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 two equivalent Cs(1) and one Re(2) atom. In the third Cl site, Cl(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), and one Re(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Re6Se8(Cl3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.379
_cell_length_b   10.050
_cell_length_c   12.036
_cell_angle_alpha   64.173
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1456.681
_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  0.727  0.965  0.089  1.0
  Cs  Cs1  1  0.773  0.965  0.589  1.0
  Cs  Cs2  1  0.273  0.035  0.911  1.0
  Cs  Cs3  1  0.227  0.035  0.411  1.0
  Cs  Cs4  1  0.500  0.500  0.500  1.0
  Cs  Cs5  1  0.000  0.500  0.000  1.0
  Re  Re6  1  0.624  0.604  0.960  1.0
  Re  Re7  1  0.876  0.604  0.460  1.0
  Re  Re8  1  0.376  0.396  0.040  1.0
  Re  Re9  1  0.124  0.396  0.540  1.0
  Re  Re10  1  0.559  0.349  0.137  1.0
  Re  Re11  1  0.941  0.349  0.637  1.0
  Re  Re12  1  0.441  0.651  0.863  1.0
  Re  Re13  1  0.059  0.651  0.363  1.0
  Re  Re14  1  0.535  0.403  0.906  1.0
  Re  Re15  1  0.965  0.403  0.406  1.0
  Re  Re16  1  0.465  0.597  0.094  1.0
  Re  Re17  1  0.035  0.597  0.594  1.0
  Se  Se18  1  0.711  0.366  1.000  1.0
  Se  Se19  1  0.789  0.366  0.500  1.0
  Se  Se20  1  0.289  0.634  0.000  1.0
  Se  Se21  1  0.211  0.634  0.500  1.0
  Se  Se22  1  0.531  0.838  0.919  1.0
  Se  Se23  1  0.969  0.838  0.419  1.0
  Se  Se24  1  0.469  0.162  0.081  1.0
  Se  Se25  1  0.031  0.162  0.581  1.0
  Se  Se26  1  0.641  0.544  0.187  1.0
  Se  Se27  1  0.859  0.544  0.687  1.0
  Se  Se28  1  0.359  0.456  0.813  1.0
  Se  Se29  1  0.141  0.456  0.313  1.0
  Se  Se30  1  0.594  0.650  0.738  1.0
  Se  Se31  1  0.906  0.650  0.238  1.0
  Se  Se32  1  0.406  0.350  0.262  1.0
  Se  Se33  1  0.094  0.350  0.762  1.0
  Cl  Cl34  1  0.783  0.739  0.912  1.0
  Cl  Cl35  1  0.717  0.739  0.412  1.0
  Cl  Cl36  1  0.217  0.261  0.088  1.0
  Cl  Cl37  1  0.283  0.261  0.588  1.0
  Cl  Cl38  1  0.632  0.144  0.312  1.0
  Cl  Cl39  1  0.868  0.144  0.812  1.0
  Cl  Cl40  1  0.368  0.856  0.688  1.0
  Cl  Cl41  1  0.132  0.856  0.188  1.0
  Cl  Cl42  1  0.582  0.262  0.792  1.0
  Cl  Cl43  1  0.918  0.262  0.292  1.0
  Cl  Cl44  1  0.418  0.738  0.208  1.0
  Cl  Cl45  1  0.082  0.738  0.708  1.0
  O  O46  1  0.936  0.125  0.066  1.0
  O  O47  1  0.564  0.125  0.566  1.0
  O  O48  1  0.064  0.875  0.934  1.0
  O  O49  1  0.436  0.875  0.434  1.0
[/CIF]
.
The material structure described by Cs3Re6Se8(OCl3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one Se(1), one Se(3), one Se(4), two equivalent Se(2), one O(1), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded to two equivalent Se(1), two equivalent Se(3), two equivalent Se(4), two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(3) atoms to form distorted CsSe6Cl4O2 cuboctahedra that share corners with two equivalent Re(2)Se4Cl square pyramids, corners with two equivalent Re(3)Se4Cl square pyramids, corners with four equivalent Re(1)Se4Cl square pyramids, edges with two equivalent Re(1)Se4Cl square pyramids, edges with two equivalent Re(2)Se4Cl square pyramids, and faces with two equivalent Re(3)Se4Cl square pyramids. 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 Cl(1) atom to form distorted ReSe4Cl square pyramids that share corners with two equivalent Cs(2)Se6Cl4O2 cuboctahedra,  an edgeedge with one Cs(2)Se6Cl4O2 cuboctahedra, edges with two equivalent Re(2)Se4Cl square pyramids, and edges with two equivalent Re(3)Se4Cl 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 Cl(2) atom to form distorted ReSe4Cl square pyramids that share  a cornercorner with one Cs(2)Se6Cl4O2 cuboctahedra,  an edgeedge with one Cs(2)Se6Cl4O2 cuboctahedra, edges with two equivalent Re(1)Se4Cl square pyramids, and edges with two equivalent Re(3)Se4Cl square pyramids. In the third Re site, Re(3) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Cl(3) atom to form distorted ReSe4Cl square pyramids that share  a cornercorner with one Cs(2)Se6Cl4O2 cuboctahedra, edges with two equivalent Re(1)Se4Cl square pyramids, edges with two equivalent Re(2)Se4Cl square pyramids, and  a faceface with one Cs(2)Se6Cl4O2 cuboctahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Re(1), one Re(2), and one Re(3) atom. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Re(1), one Re(2), and one Re(3) atom. O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(1) and one Cs(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Cs(2), 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 two equivalent Cs(1) and one Re(2) atom. In the third Cl site, Cl(3) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), and one Re(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Re6Se8(Cl3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.379
_cell_length_b   10.050
_cell_length_c   12.036
_cell_angle_alpha   64.173
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1456.681
_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  0.727  0.965  0.089  1.0
  Cs  Cs1  1  0.773  0.965  0.589  1.0
  Cs  Cs2  1  0.273  0.035  0.911  1.0
  Cs  Cs3  1  0.227  0.035  0.411  1.0
  Cs  Cs4  1  0.500  0.500  0.500  1.0
  Cs  Cs5  1  0.000  0.500  0.000  1.0
  Re  Re6  1  0.624  0.604  0.960  1.0
  Re  Re7  1  0.876  0.604  0.460  1.0
  Re  Re8  1  0.376  0.396  0.040  1.0
  Re  Re9  1  0.124  0.396  0.540  1.0
  Re  Re10  1  0.559  0.349  0.137  1.0
  Re  Re11  1  0.941  0.349  0.637  1.0
  Re  Re12  1  0.441  0.651  0.863  1.0
  Re  Re13  1  0.059  0.651  0.363  1.0
  Re  Re14  1  0.535  0.403  0.906  1.0
  Re  Re15  1  0.965  0.403  0.406  1.0
  Re  Re16  1  0.465  0.597  0.094  1.0
  Re  Re17  1  0.035  0.597  0.594  1.0
  Se  Se18  1  0.711  0.366  1.000  1.0
  Se  Se19  1  0.789  0.366  0.500  1.0
  Se  Se20  1  0.289  0.634  0.000  1.0
  Se  Se21  1  0.211  0.634  0.500  1.0
  Se  Se22  1  0.531  0.838  0.919  1.0
  Se  Se23  1  0.969  0.838  0.419  1.0
  Se  Se24  1  0.469  0.162  0.081  1.0
  Se  Se25  1  0.031  0.162  0.581  1.0
  Se  Se26  1  0.641  0.544  0.187  1.0
  Se  Se27  1  0.859  0.544  0.687  1.0
  Se  Se28  1  0.359  0.456  0.813  1.0
  Se  Se29  1  0.141  0.456  0.313  1.0
  Se  Se30  1  0.594  0.650  0.738  1.0
  Se  Se31  1  0.906  0.650  0.238  1.0
  Se  Se32  1  0.406  0.350  0.262  1.0
  Se  Se33  1  0.094  0.350  0.762  1.0
  Cl  Cl34  1  0.783  0.739  0.912  1.0
  Cl  Cl35  1  0.717  0.739  0.412  1.0
  Cl  Cl36  1  0.217  0.261  0.088  1.0
  Cl  Cl37  1  0.283  0.261  0.588  1.0
  Cl  Cl38  1  0.632  0.144  0.312  1.0
  Cl  Cl39  1  0.868  0.144  0.812  1.0
  Cl  Cl40  1  0.368  0.856  0.688  1.0
  Cl  Cl41  1  0.132  0.856  0.188  1.0
  Cl  Cl42  1  0.582  0.262  0.792  1.0
  Cl  Cl43  1  0.918  0.262  0.292  1.0
  Cl  Cl44  1  0.418  0.738  0.208  1.0
  Cl  Cl45  1  0.082  0.738  0.708  1.0
  O  O46  1  0.936  0.125  0.066  1.0
  O  O47  1  0.564  0.125  0.566  1.0
  O  O48  1  0.064  0.875  0.934  1.0
  O  O49  1  0.436  0.875  0.434  1.0
[/CIF]
.