The compound described by Ba(OBr)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent Br(1) atoms. O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Br(1) atoms. Br(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_Ba(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.969
_cell_length_c   9.661
_cell_angle_alpha   65.765
_cell_angle_beta   65.765
_cell_angle_gamma   70.061
_symmetry_Int_Tables_number   1
_cell_volume   280.030
_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
  Ba  Ba0  1  0.660  0.340  0.250  1.0
  Ba  Ba1  1  0.340  0.660  0.750  1.0
  Br  Br2  1  0.122  0.642  0.136  1.0
  Br  Br3  1  0.358  0.878  0.364  1.0
  Br  Br4  1  0.878  0.358  0.864  1.0
  Br  Br5  1  0.642  0.122  0.636  1.0
  O  O6  1  0.151  0.279  0.040  1.0
  O  O7  1  0.721  0.849  0.460  1.0
  O  O8  1  0.849  0.721  0.960  1.0
  O  O9  1  0.279  0.151  0.540  1.0
[/CIF]
.
The compound described by Ba(OBr)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent Br(1) atoms. O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Br(1) atoms. Br(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_Ba(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.969
_cell_length_c   9.661
_cell_angle_alpha   65.765
_cell_angle_beta   65.765
_cell_angle_gamma   70.061
_symmetry_Int_Tables_number   1
_cell_volume   280.030
_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
  Ba  Ba0  1  0.660  0.340  0.250  1.0
  Ba  Ba1  1  0.340  0.660  0.750  1.0
  Br  Br2  1  0.122  0.642  0.136  1.0
  Br  Br3  1  0.358  0.878  0.364  1.0
  Br  Br4  1  0.878  0.358  0.864  1.0
  Br  Br5  1  0.642  0.122  0.636  1.0
  O  O6  1  0.151  0.279  0.040  1.0
  O  O7  1  0.721  0.849  0.460  1.0
  O  O8  1  0.849  0.721  0.960  1.0
  O  O9  1  0.279  0.151  0.540  1.0
[/CIF]
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