The structure described by Cd(O2Br)2 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing CdO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one Br(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one Br(1) atom. Br(1) is bonded in a water-like geometry to one O(1) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.518
_cell_length_b   3.704
_cell_length_c   7.595
_cell_angle_alpha   63.574
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.762
_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
  Cd  Cd0  1  0.500  0.000  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.500  1.0
  Br  Br2  1  0.179  0.569  0.002  1.0
  Br  Br3  1  0.821  0.431  0.998  1.0
  Br  Br4  1  0.321  0.569  0.502  1.0
  Br  Br5  1  0.679  0.431  0.498  1.0
  O  O6  1  0.422  0.553  0.314  1.0
  O  O7  1  0.578  0.447  0.686  1.0
  O  O8  1  0.078  0.553  0.814  1.0
  O  O9  1  0.922  0.447  0.186  1.0
  O  O10  1  0.144  0.578  0.419  1.0
  O  O11  1  0.856  0.422  0.581  1.0
  O  O12  1  0.356  0.578  0.919  1.0
  O  O13  1  0.644  0.422  0.081  1.0
[/CIF]
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The structure described by Cd(O2Br)2 crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing CdO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cd(1) and one Br(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one Br(1) atom. Br(1) is bonded in a water-like geometry to one O(1) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.518
_cell_length_b   3.704
_cell_length_c   7.595
_cell_angle_alpha   63.574
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.762
_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
  Cd  Cd0  1  0.500  0.000  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.500  1.0
  Br  Br2  1  0.179  0.569  0.002  1.0
  Br  Br3  1  0.821  0.431  0.998  1.0
  Br  Br4  1  0.321  0.569  0.502  1.0
  Br  Br5  1  0.679  0.431  0.498  1.0
  O  O6  1  0.422  0.553  0.314  1.0
  O  O7  1  0.578  0.447  0.686  1.0
  O  O8  1  0.078  0.553  0.814  1.0
  O  O9  1  0.922  0.447  0.186  1.0
  O  O10  1  0.144  0.578  0.419  1.0
  O  O11  1  0.856  0.422  0.581  1.0
  O  O12  1  0.356  0.578  0.919  1.0
  O  O13  1  0.644  0.422  0.081  1.0
[/CIF]
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