The crystal structure described by CsReO4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), and six equivalent O(1) atoms. Re(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Re(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Re(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.687
_cell_length_b   6.050
_cell_length_c   14.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.022
_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  0.472  0.250  0.628  1.0
  Cs  Cs1  1  0.972  0.250  0.872  1.0
  Cs  Cs2  1  0.528  0.750  0.372  1.0
  Cs  Cs3  1  0.028  0.750  0.128  1.0
  Re  Re4  1  0.453  0.750  0.881  1.0
  Re  Re5  1  0.953  0.750  0.619  1.0
  Re  Re6  1  0.547  0.250  0.119  1.0
  Re  Re7  1  0.047  0.250  0.381  1.0
  O  O8  1  0.516  0.515  0.815  1.0
  O  O9  1  0.016  0.985  0.685  1.0
  O  O10  1  0.484  0.015  0.185  1.0
  O  O11  1  0.984  0.485  0.315  1.0
  O  O12  1  0.484  0.485  0.185  1.0
  O  O13  1  0.984  0.015  0.315  1.0
  O  O14  1  0.516  0.985  0.815  1.0
  O  O15  1  0.016  0.515  0.685  1.0
  O  O16  1  0.845  0.250  0.089  1.0
  O  O17  1  0.345  0.250  0.411  1.0
  O  O18  1  0.155  0.750  0.911  1.0
  O  O19  1  0.655  0.750  0.589  1.0
  O  O20  1  0.878  0.250  0.483  1.0
  O  O21  1  0.378  0.250  0.017  1.0
  O  O22  1  0.122  0.750  0.517  1.0
  O  O23  1  0.622  0.750  0.983  1.0
[/CIF]
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The crystal structure described by CsReO4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one O(3), three equivalent O(2), and six equivalent O(1) atoms. Re(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Re(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Re(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsReO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.687
_cell_length_b   6.050
_cell_length_c   14.242
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.022
_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  0.472  0.250  0.628  1.0
  Cs  Cs1  1  0.972  0.250  0.872  1.0
  Cs  Cs2  1  0.528  0.750  0.372  1.0
  Cs  Cs3  1  0.028  0.750  0.128  1.0
  Re  Re4  1  0.453  0.750  0.881  1.0
  Re  Re5  1  0.953  0.750  0.619  1.0
  Re  Re6  1  0.547  0.250  0.119  1.0
  Re  Re7  1  0.047  0.250  0.381  1.0
  O  O8  1  0.516  0.515  0.815  1.0
  O  O9  1  0.016  0.985  0.685  1.0
  O  O10  1  0.484  0.015  0.185  1.0
  O  O11  1  0.984  0.485  0.315  1.0
  O  O12  1  0.484  0.485  0.185  1.0
  O  O13  1  0.984  0.015  0.315  1.0
  O  O14  1  0.516  0.985  0.815  1.0
  O  O15  1  0.016  0.515  0.685  1.0
  O  O16  1  0.845  0.250  0.089  1.0
  O  O17  1  0.345  0.250  0.411  1.0
  O  O18  1  0.155  0.750  0.911  1.0
  O  O19  1  0.655  0.750  0.589  1.0
  O  O20  1  0.878  0.250  0.483  1.0
  O  O21  1  0.378  0.250  0.017  1.0
  O  O22  1  0.122  0.750  0.517  1.0
  O  O23  1  0.622  0.750  0.983  1.0
[/CIF]
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