The compound described by CsReCl4 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 one Cl(2), one Cl(6), one Cl(8), two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Cl(2), one Cl(7), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(1) atoms. In the third Cs site, Cs(3) is bonded in a 12-coordinate geometry to two equivalent Cl(3), two equivalent Cl(4), two equivalent Cl(5), two equivalent Cl(6), two equivalent Cl(7), and two equivalent Cl(8) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom to form distorted corner-sharing ReCl5 square pyramids. In the second Re site, Re(2) is bonded to one Cl(2), one Cl(6), one Cl(8), and two equivalent Cl(5) atoms to form distorted corner-sharing ReCl5 square pyramids. There are eight inequivalent Cl sites. In the first Cl site, Cl(7) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(3), and two equivalent Re(1) atoms. In the second Cl site, Cl(8) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(3), and one Re(2) atom. In the third Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Re(1) atom. In the fourth Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), and one Re(2) atom. In the fifth Cl site, Cl(3) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Re(1) atom. In the sixth Cl site, Cl(4) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(1) atom to form a mixture of distorted corner and edge-sharing ClCs3Re tetrahedra. In the seventh Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(3), one Re(1), and one Re(2) atom. In the eighth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(3), and one Re(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsReCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.048
_cell_length_b   10.048
_cell_length_c   10.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.551
_symmetry_Int_Tables_number   1
_cell_volume   1090.517
_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  0.803  0.444  0.750  1.0
  Cs  Cs1  1  0.483  0.301  0.250  1.0
  Cs  Cs2  1  0.301  0.483  0.750  1.0
  Cs  Cs3  1  0.001  0.001  0.000  1.0
  Cs  Cs4  1  0.444  0.803  0.250  1.0
  Cs  Cs5  1  0.001  0.001  0.500  1.0
  Re  Re6  1  0.013  0.449  0.363  1.0
  Re  Re7  1  0.449  0.013  0.637  1.0
  Re  Re8  1  0.637  0.920  0.750  1.0
  Re  Re9  1  0.449  0.013  0.863  1.0
  Re  Re10  1  0.920  0.637  0.250  1.0
  Re  Re11  1  0.013  0.449  0.137  1.0
  Cl  Cl12  1  0.529  0.228  0.900  1.0
  Cl  Cl13  1  0.697  0.574  0.250  1.0
  Cl  Cl14  1  0.327  0.819  0.601  1.0
  Cl  Cl15  1  0.066  0.335  0.927  1.0
  Cl  Cl16  1  0.636  0.921  0.974  1.0
  Cl  Cl17  1  0.779  0.104  0.750  1.0
  Cl  Cl18  1  0.228  0.529  0.400  1.0
  Cl  Cl19  1  0.335  0.066  0.427  1.0
  Cl  Cl20  1  0.819  0.327  0.399  1.0
  Cl  Cl21  1  0.574  0.697  0.750  1.0
  Cl  Cl22  1  0.921  0.636  0.474  1.0
  Cl  Cl23  1  0.263  0.105  0.750  1.0
  Cl  Cl24  1  0.921  0.636  0.026  1.0
  Cl  Cl25  1  0.228  0.529  0.100  1.0
  Cl  Cl26  1  0.636  0.921  0.526  1.0
  Cl  Cl27  1  0.869  0.807  0.750  1.0
  Cl  Cl28  1  0.066  0.335  0.573  1.0
  Cl  Cl29  1  0.327  0.819  0.899  1.0
  Cl  Cl30  1  0.104  0.779  0.250  1.0
  Cl  Cl31  1  0.819  0.327  0.101  1.0
  Cl  Cl32  1  0.529  0.228  0.600  1.0
  Cl  Cl33  1  0.335  0.066  0.073  1.0
  Cl  Cl34  1  0.105  0.263  0.250  1.0
  Cl  Cl35  1  0.807  0.869  0.250  1.0
[/CIF]
.
The compound described by CsReCl4 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 one Cl(2), one Cl(6), one Cl(8), two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Cl(2), one Cl(7), two equivalent Cl(3), two equivalent Cl(4), and four equivalent Cl(1) atoms. In the third Cs site, Cs(3) is bonded in a 12-coordinate geometry to two equivalent Cl(3), two equivalent Cl(4), two equivalent Cl(5), two equivalent Cl(6), two equivalent Cl(7), and two equivalent Cl(8) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(7) atom to form distorted corner-sharing ReCl5 square pyramids. In the second Re site, Re(2) is bonded to one Cl(2), one Cl(6), one Cl(8), and two equivalent Cl(5) atoms to form distorted corner-sharing ReCl5 square pyramids. There are eight inequivalent Cl sites. In the first Cl site, Cl(7) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(3), and two equivalent Re(1) atoms. In the second Cl site, Cl(8) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(3), and one Re(2) atom. In the third Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Re(1) atom. In the fourth Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), and one Re(2) atom. In the fifth Cl site, Cl(3) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Re(1) atom. In the sixth Cl site, Cl(4) is bonded to one Cs(1), one Cs(2), one Cs(3), and one Re(1) atom to form a mixture of distorted corner and edge-sharing ClCs3Re tetrahedra. In the seventh Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(3), one Re(1), and one Re(2) atom. In the eighth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(3), and one Re(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsReCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.048
_cell_length_b   10.048
_cell_length_c   10.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.551
_symmetry_Int_Tables_number   1
_cell_volume   1090.517
_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  0.803  0.444  0.750  1.0
  Cs  Cs1  1  0.483  0.301  0.250  1.0
  Cs  Cs2  1  0.301  0.483  0.750  1.0
  Cs  Cs3  1  0.001  0.001  0.000  1.0
  Cs  Cs4  1  0.444  0.803  0.250  1.0
  Cs  Cs5  1  0.001  0.001  0.500  1.0
  Re  Re6  1  0.013  0.449  0.363  1.0
  Re  Re7  1  0.449  0.013  0.637  1.0
  Re  Re8  1  0.637  0.920  0.750  1.0
  Re  Re9  1  0.449  0.013  0.863  1.0
  Re  Re10  1  0.920  0.637  0.250  1.0
  Re  Re11  1  0.013  0.449  0.137  1.0
  Cl  Cl12  1  0.529  0.228  0.900  1.0
  Cl  Cl13  1  0.697  0.574  0.250  1.0
  Cl  Cl14  1  0.327  0.819  0.601  1.0
  Cl  Cl15  1  0.066  0.335  0.927  1.0
  Cl  Cl16  1  0.636  0.921  0.974  1.0
  Cl  Cl17  1  0.779  0.104  0.750  1.0
  Cl  Cl18  1  0.228  0.529  0.400  1.0
  Cl  Cl19  1  0.335  0.066  0.427  1.0
  Cl  Cl20  1  0.819  0.327  0.399  1.0
  Cl  Cl21  1  0.574  0.697  0.750  1.0
  Cl  Cl22  1  0.921  0.636  0.474  1.0
  Cl  Cl23  1  0.263  0.105  0.750  1.0
  Cl  Cl24  1  0.921  0.636  0.026  1.0
  Cl  Cl25  1  0.228  0.529  0.100  1.0
  Cl  Cl26  1  0.636  0.921  0.526  1.0
  Cl  Cl27  1  0.869  0.807  0.750  1.0
  Cl  Cl28  1  0.066  0.335  0.573  1.0
  Cl  Cl29  1  0.327  0.819  0.899  1.0
  Cl  Cl30  1  0.104  0.779  0.250  1.0
  Cl  Cl31  1  0.819  0.327  0.101  1.0
  Cl  Cl32  1  0.529  0.228  0.600  1.0
  Cl  Cl33  1  0.335  0.066  0.073  1.0
  Cl  Cl34  1  0.105  0.263  0.250  1.0
  Cl  Cl35  1  0.807  0.869  0.250  1.0
[/CIF]
.