The crystal structure described by Cd(O2Br)2 crystallizes in the orthorhombic Pnnm space group. Cd(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Br(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent O(1) and one Br(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cd(1), two equivalent O(2), and one Br(1) atom. Br(1) is bonded in a 4-coordinate geometry to two equivalent Cd(1), one O(1), and one O(2) atom. is represented by the CIF file [CIF]
data_Cd(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.736
_cell_length_b   7.555
_cell_length_c   8.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.123
_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  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Br  Br2  1  0.000  0.778  0.392  1.0
  Br  Br3  1  0.000  0.222  0.608  1.0
  Br  Br4  1  0.500  0.722  0.892  1.0
  Br  Br5  1  0.500  0.278  0.108  1.0
  O  O6  1  0.500  0.277  0.347  1.0
  O  O7  1  0.500  0.723  0.653  1.0
  O  O8  1  0.000  0.223  0.847  1.0
  O  O9  1  0.000  0.777  0.153  1.0
  O  O10  1  0.500  0.724  0.114  1.0
  O  O11  1  0.500  0.276  0.886  1.0
  O  O12  1  0.000  0.776  0.614  1.0
  O  O13  1  0.000  0.224  0.386  1.0
[/CIF]
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The crystal structure described by Cd(O2Br)2 crystallizes in the orthorhombic Pnnm space group. Cd(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Br(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent O(1) and one Br(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cd(1), two equivalent O(2), and one Br(1) atom. Br(1) is bonded in a 4-coordinate geometry to two equivalent Cd(1), one O(1), and one O(2) atom. is represented by the CIF file [CIF]
data_Cd(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.736
_cell_length_b   7.555
_cell_length_c   8.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   251.123
_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  0.500  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Br  Br2  1  0.000  0.778  0.392  1.0
  Br  Br3  1  0.000  0.222  0.608  1.0
  Br  Br4  1  0.500  0.722  0.892  1.0
  Br  Br5  1  0.500  0.278  0.108  1.0
  O  O6  1  0.500  0.277  0.347  1.0
  O  O7  1  0.500  0.723  0.653  1.0
  O  O8  1  0.000  0.223  0.847  1.0
  O  O9  1  0.000  0.777  0.153  1.0
  O  O10  1  0.500  0.724  0.114  1.0
  O  O11  1  0.500  0.276  0.886  1.0
  O  O12  1  0.000  0.776  0.614  1.0
  O  O13  1  0.000  0.224  0.386  1.0
[/CIF]
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