The compound described by CdOBr crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent Br(1) atoms. O(1) is bonded to three equivalent Cd(1) and one Br(1) atom to form a mixture of distorted edge and corner-sharing OCd3Br tetrahedra. Br(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cd(1) and one O(1) atom. is represented by the CIF card [CIF]
data_CdBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.513
_cell_length_b   5.515
_cell_length_c   6.753
_cell_angle_alpha   65.800
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.222
_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
  Cd  Cd0  1  0.872  0.007  0.214  1.0
  Cd  Cd1  1  0.372  0.993  0.286  1.0
  Cd  Cd2  1  0.128  0.993  0.786  1.0
  Cd  Cd3  1  0.628  0.007  0.714  1.0
  Br  Br4  1  0.606  0.634  0.189  1.0
  Br  Br5  1  0.106  0.366  0.311  1.0
  Br  Br6  1  0.394  0.366  0.811  1.0
  Br  Br7  1  0.894  0.634  0.689  1.0
  O  O8  1  0.638  0.138  0.344  1.0
  O  O9  1  0.138  0.862  0.156  1.0
  O  O10  1  0.362  0.862  0.656  1.0
  O  O11  1  0.862  0.138  0.844  1.0
[/CIF]
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The compound described by CdOBr crystallizes in the monoclinic P2_1/c space group. Cd(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent Br(1) atoms. O(1) is bonded to three equivalent Cd(1) and one Br(1) atom to form a mixture of distorted edge and corner-sharing OCd3Br tetrahedra. Br(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cd(1) and one O(1) atom. is represented by the CIF card [CIF]
data_CdBrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.513
_cell_length_b   5.515
_cell_length_c   6.753
_cell_angle_alpha   65.800
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   255.222
_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
  Cd  Cd0  1  0.872  0.007  0.214  1.0
  Cd  Cd1  1  0.372  0.993  0.286  1.0
  Cd  Cd2  1  0.128  0.993  0.786  1.0
  Cd  Cd3  1  0.628  0.007  0.714  1.0
  Br  Br4  1  0.606  0.634  0.189  1.0
  Br  Br5  1  0.106  0.366  0.311  1.0
  Br  Br6  1  0.394  0.366  0.811  1.0
  Br  Br7  1  0.894  0.634  0.689  1.0
  O  O8  1  0.638  0.138  0.344  1.0
  O  O9  1  0.138  0.862  0.156  1.0
  O  O10  1  0.362  0.862  0.656  1.0
  O  O11  1  0.862  0.138  0.844  1.0
[/CIF]
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