The material described by CsRe3(Se2Br)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Br(1), and three equivalent Br(2) atoms. 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), and two equivalent Se(4) atoms to form distorted ReSe5 square pyramids that share  a cornercorner with one Re(2)Se4Br square pyramid,  a cornercorner with one Re(3)Se4Br square pyramid,  an edgeedge with one Re(1)Se5 square pyramid, edges with two equivalent Re(2)Se4Br square pyramids, and edges with two equivalent Re(3)Se4Br 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 Br(1) atom to form distorted ReSe4Br square pyramids that share  a cornercorner with one Re(1)Se5 square pyramid, edges with two equivalent Re(3)Se4Br square pyramids, and edges with two equivalent Re(1)Se5 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 Br(2) atom to form distorted ReSe4Br square pyramids that share  a cornercorner with one Re(1)Se5 square pyramid, edges with two equivalent Re(2)Se4Br square pyramids, and edges with two equivalent Re(1)Se5 square pyramids. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(2) is bonded in a 3-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 5-coordinate geometry to two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Re(2), one Re(3), and two equivalent Re(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Re(2) atom. In the second Br site, Br(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cs(1) and one Re(3) atom. is represented by the CIF file [CIF]
data_CsRe3(Se2Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.347
_cell_length_b   6.683
_cell_length_c   10.335
_cell_angle_alpha   64.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1210.947
_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
  Cs  Cs0  1  0.310  0.043  0.952  1.0
  Cs  Cs1  1  0.190  0.043  0.452  1.0
  Cs  Cs2  1  0.690  0.957  0.048  1.0
  Cs  Cs3  1  0.810  0.957  0.548  1.0
  Re  Re4  1  0.505  0.786  0.430  1.0
  Re  Re5  1  0.995  0.786  0.930  1.0
  Re  Re6  1  0.495  0.214  0.570  1.0
  Re  Re7  1  0.005  0.214  0.070  1.0
  Re  Re8  1  0.441  0.171  0.348  1.0
  Re  Re9  1  0.059  0.171  0.848  1.0
  Re  Re10  1  0.559  0.829  0.652  1.0
  Re  Re11  1  0.941  0.829  0.152  1.0
  Re  Re12  1  0.578  0.141  0.392  1.0
  Re  Re13  1  0.922  0.141  0.892  1.0
  Re  Re14  1  0.422  0.859  0.608  1.0
  Re  Re15  1  0.078  0.859  0.108  1.0
  Se  Se16  1  0.523  0.095  0.181  1.0
  Se  Se17  1  0.977  0.095  0.681  1.0
  Se  Se18  1  0.477  0.905  0.819  1.0
  Se  Se19  1  0.023  0.905  0.319  1.0
  Se  Se20  1  0.375  0.821  0.389  1.0
  Se  Se21  1  0.125  0.821  0.889  1.0
  Se  Se22  1  0.625  0.179  0.611  1.0
  Se  Se23  1  0.875  0.179  0.111  1.0
  Se  Se24  1  0.634  0.763  0.471  1.0
  Se  Se25  1  0.866  0.763  0.971  1.0
  Se  Se26  1  0.366  0.237  0.529  1.0
  Se  Se27  1  0.134  0.237  0.029  1.0
  Se  Se28  1  0.485  0.489  0.697  1.0
  Se  Se29  1  0.015  0.489  0.197  1.0
  Se  Se30  1  0.515  0.511  0.303  1.0
  Se  Se31  1  0.985  0.511  0.803  1.0
  Br  Br32  1  0.358  0.399  0.141  1.0
  Br  Br33  1  0.142  0.399  0.641  1.0
  Br  Br34  1  0.642  0.601  0.859  1.0
  Br  Br35  1  0.858  0.601  0.359  1.0
  Br  Br36  1  0.691  0.321  0.250  1.0
  Br  Br37  1  0.809  0.321  0.750  1.0
  Br  Br38  1  0.309  0.679  0.750  1.0
  Br  Br39  1  0.191  0.679  0.250  1.0
[/CIF]
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The material described by CsRe3(Se2Br)2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 10-coordinate geometry to one Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Br(1), and three equivalent Br(2) atoms. 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), and two equivalent Se(4) atoms to form distorted ReSe5 square pyramids that share  a cornercorner with one Re(2)Se4Br square pyramid,  a cornercorner with one Re(3)Se4Br square pyramid,  an edgeedge with one Re(1)Se5 square pyramid, edges with two equivalent Re(2)Se4Br square pyramids, and edges with two equivalent Re(3)Se4Br 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 Br(1) atom to form distorted ReSe4Br square pyramids that share  a cornercorner with one Re(1)Se5 square pyramid, edges with two equivalent Re(3)Se4Br square pyramids, and edges with two equivalent Re(1)Se5 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 Br(2) atom to form distorted ReSe4Br square pyramids that share  a cornercorner with one Re(1)Se5 square pyramid, edges with two equivalent Re(2)Se4Br square pyramids, and edges with two equivalent Re(1)Se5 square pyramids. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the second Se site, Se(2) is bonded in a 3-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 5-coordinate geometry to two equivalent Cs(1), one Re(1), one Re(2), and one Re(3) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Re(2), one Re(3), and two equivalent Re(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1) and one Re(2) atom. In the second Br site, Br(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cs(1) and one Re(3) atom. is represented by the CIF file [CIF]
data_CsRe3(Se2Br)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.347
_cell_length_b   6.683
_cell_length_c   10.335
_cell_angle_alpha   64.994
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1210.947
_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
  Cs  Cs0  1  0.310  0.043  0.952  1.0
  Cs  Cs1  1  0.190  0.043  0.452  1.0
  Cs  Cs2  1  0.690  0.957  0.048  1.0
  Cs  Cs3  1  0.810  0.957  0.548  1.0
  Re  Re4  1  0.505  0.786  0.430  1.0
  Re  Re5  1  0.995  0.786  0.930  1.0
  Re  Re6  1  0.495  0.214  0.570  1.0
  Re  Re7  1  0.005  0.214  0.070  1.0
  Re  Re8  1  0.441  0.171  0.348  1.0
  Re  Re9  1  0.059  0.171  0.848  1.0
  Re  Re10  1  0.559  0.829  0.652  1.0
  Re  Re11  1  0.941  0.829  0.152  1.0
  Re  Re12  1  0.578  0.141  0.392  1.0
  Re  Re13  1  0.922  0.141  0.892  1.0
  Re  Re14  1  0.422  0.859  0.608  1.0
  Re  Re15  1  0.078  0.859  0.108  1.0
  Se  Se16  1  0.523  0.095  0.181  1.0
  Se  Se17  1  0.977  0.095  0.681  1.0
  Se  Se18  1  0.477  0.905  0.819  1.0
  Se  Se19  1  0.023  0.905  0.319  1.0
  Se  Se20  1  0.375  0.821  0.389  1.0
  Se  Se21  1  0.125  0.821  0.889  1.0
  Se  Se22  1  0.625  0.179  0.611  1.0
  Se  Se23  1  0.875  0.179  0.111  1.0
  Se  Se24  1  0.634  0.763  0.471  1.0
  Se  Se25  1  0.866  0.763  0.971  1.0
  Se  Se26  1  0.366  0.237  0.529  1.0
  Se  Se27  1  0.134  0.237  0.029  1.0
  Se  Se28  1  0.485  0.489  0.697  1.0
  Se  Se29  1  0.015  0.489  0.197  1.0
  Se  Se30  1  0.515  0.511  0.303  1.0
  Se  Se31  1  0.985  0.511  0.803  1.0
  Br  Br32  1  0.358  0.399  0.141  1.0
  Br  Br33  1  0.142  0.399  0.641  1.0
  Br  Br34  1  0.642  0.601  0.859  1.0
  Br  Br35  1  0.858  0.601  0.359  1.0
  Br  Br36  1  0.691  0.321  0.250  1.0
  Br  Br37  1  0.809  0.321  0.750  1.0
  Br  Br38  1  0.309  0.679  0.750  1.0
  Br  Br39  1  0.191  0.679  0.250  1.0
[/CIF]
.