The material structure described by CsReBrCl3 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent Br(2), one Cl(4), one Cl(5), one Cl(6), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one Br(1), one Cl(6), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to two equivalent Br(2), one Cl(4), one Cl(5), and one Cl(6) atom. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to one Br(1), one Br(2), one Cl(1), one Cl(2), and one Cl(3) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(2), and two equivalent Re(2) atoms. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Re(1), and one Re(2) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(3), and one Re(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Re(2) atom. In the third Cl site, Cl(3) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(2) atom to form a mixture of distorted edge and corner-sharing ClCs3Re tetrahedra. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Re(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Re(1) 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(1) atom. is represented by the CIF file [CIF]
data_CsReBrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.294
_cell_length_b   10.294
_cell_length_c   11.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.440
_symmetry_Int_Tables_number   1
_cell_volume   1175.876
_cell_formula_units_Z   6
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  0.433  0.796  0.750  1.0
  Cs  Cs1  1  0.004  0.004  0.500  1.0
  Cs  Cs2  1  0.488  0.296  0.750  1.0
  Cs  Cs3  1  0.796  0.433  0.250  1.0
  Cs  Cs4  1  0.004  0.004  0.000  1.0
  Cs  Cs5  1  0.296  0.488  0.250  1.0
  Re  Re6  1  0.918  0.634  0.750  1.0
  Re  Re7  1  0.012  0.449  0.638  1.0
  Re  Re8  1  0.012  0.449  0.862  1.0
  Re  Re9  1  0.449  0.012  0.138  1.0
  Re  Re10  1  0.634  0.918  0.250  1.0
  Re  Re11  1  0.449  0.012  0.362  1.0
  Br  Br12  1  0.254  0.112  0.250  1.0
  Br  Br13  1  0.640  0.916  0.482  1.0
  Br  Br14  1  0.916  0.640  0.982  1.0
  Br  Br15  1  0.640  0.916  0.018  1.0
  Br  Br16  1  0.916  0.640  0.518  1.0
  Br  Br17  1  0.112  0.254  0.750  1.0
  Cl  Cl18  1  0.528  0.222  0.103  1.0
  Cl  Cl19  1  0.823  0.329  0.896  1.0
  Cl  Cl20  1  0.329  0.823  0.396  1.0
  Cl  Cl21  1  0.063  0.339  0.070  1.0
  Cl  Cl22  1  0.339  0.063  0.570  1.0
  Cl  Cl23  1  0.222  0.528  0.603  1.0
  Cl  Cl24  1  0.808  0.863  0.750  1.0
  Cl  Cl25  1  0.222  0.528  0.897  1.0
  Cl  Cl26  1  0.063  0.339  0.430  1.0
  Cl  Cl27  1  0.329  0.823  0.104  1.0
  Cl  Cl28  1  0.863  0.808  0.250  1.0
  Cl  Cl29  1  0.098  0.774  0.750  1.0
  Cl  Cl30  1  0.528  0.222  0.397  1.0
  Cl  Cl31  1  0.699  0.572  0.750  1.0
  Cl  Cl32  1  0.774  0.098  0.250  1.0
  Cl  Cl33  1  0.339  0.063  0.930  1.0
  Cl  Cl34  1  0.572  0.699  0.250  1.0
  Cl  Cl35  1  0.823  0.329  0.604  1.0
[/CIF]
.
The material structure described by CsReBrCl3 crystallizes in the orthorhombic Ama2 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent Br(2), one Cl(4), one Cl(5), one Cl(6), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Cl(2), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the third Cs site, Cs(3) is bonded in a 10-coordinate geometry to one Br(1), one Cl(6), two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to two equivalent Br(2), one Cl(4), one Cl(5), and one Cl(6) atom. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to one Br(1), one Br(2), one Cl(1), one Cl(2), and one Cl(3) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(2), and two equivalent Re(2) atoms. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Re(1), and one Re(2) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cs(1), two equivalent Cs(3), and one Re(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Re(2) atom. In the third Cl site, Cl(3) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(2) atom to form a mixture of distorted edge and corner-sharing ClCs3Re tetrahedra. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one Re(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Re(1) 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(1) atom. is represented by the CIF file [CIF]
data_CsReBrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.294
_cell_length_b   10.294
_cell_length_c   11.097
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.440
_symmetry_Int_Tables_number   1
_cell_volume   1175.876
_cell_formula_units_Z   6
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  0.433  0.796  0.750  1.0
  Cs  Cs1  1  0.004  0.004  0.500  1.0
  Cs  Cs2  1  0.488  0.296  0.750  1.0
  Cs  Cs3  1  0.796  0.433  0.250  1.0
  Cs  Cs4  1  0.004  0.004  0.000  1.0
  Cs  Cs5  1  0.296  0.488  0.250  1.0
  Re  Re6  1  0.918  0.634  0.750  1.0
  Re  Re7  1  0.012  0.449  0.638  1.0
  Re  Re8  1  0.012  0.449  0.862  1.0
  Re  Re9  1  0.449  0.012  0.138  1.0
  Re  Re10  1  0.634  0.918  0.250  1.0
  Re  Re11  1  0.449  0.012  0.362  1.0
  Br  Br12  1  0.254  0.112  0.250  1.0
  Br  Br13  1  0.640  0.916  0.482  1.0
  Br  Br14  1  0.916  0.640  0.982  1.0
  Br  Br15  1  0.640  0.916  0.018  1.0
  Br  Br16  1  0.916  0.640  0.518  1.0
  Br  Br17  1  0.112  0.254  0.750  1.0
  Cl  Cl18  1  0.528  0.222  0.103  1.0
  Cl  Cl19  1  0.823  0.329  0.896  1.0
  Cl  Cl20  1  0.329  0.823  0.396  1.0
  Cl  Cl21  1  0.063  0.339  0.070  1.0
  Cl  Cl22  1  0.339  0.063  0.570  1.0
  Cl  Cl23  1  0.222  0.528  0.603  1.0
  Cl  Cl24  1  0.808  0.863  0.750  1.0
  Cl  Cl25  1  0.222  0.528  0.897  1.0
  Cl  Cl26  1  0.063  0.339  0.430  1.0
  Cl  Cl27  1  0.329  0.823  0.104  1.0
  Cl  Cl28  1  0.863  0.808  0.250  1.0
  Cl  Cl29  1  0.098  0.774  0.750  1.0
  Cl  Cl30  1  0.528  0.222  0.397  1.0
  Cl  Cl31  1  0.699  0.572  0.750  1.0
  Cl  Cl32  1  0.774  0.098  0.250  1.0
  Cl  Cl33  1  0.339  0.063  0.930  1.0
  Cl  Cl34  1  0.572  0.699  0.250  1.0
  Cl  Cl35  1  0.823  0.329  0.604  1.0
[/CIF]
.