The crystal structure described by Ba2OBr2 crystallizes in the orthorhombic Ibam space group. Ba(1) is bonded in a 2-coordinate geometry to two equivalent O(1) and five equivalent Br(1) atoms. O(1) is bonded to four equivalent Ba(1) atoms to form edge-sharing OBa4 tetrahedra. Br(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba2Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   7.394
_cell_length_c   8.235
_cell_angle_alpha   116.673
_cell_angle_beta   113.910
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.721
_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  0.598  0.909  0.196  1.0
  Ba  Ba1  1  0.402  0.091  0.804  1.0
  Ba  Ba2  1  0.098  0.286  0.196  1.0
  Ba  Ba3  1  0.902  0.714  0.804  1.0
  Br  Br4  1  0.853  0.205  0.707  1.0
  Br  Br5  1  0.147  0.795  0.293  1.0
  Br  Br6  1  0.353  0.502  0.707  1.0
  Br  Br7  1  0.647  0.498  0.293  1.0
  O  O8  1  0.750  0.000  0.000  1.0
  O  O9  1  0.250  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Ba2OBr2 crystallizes in the orthorhombic Ibam space group. Ba(1) is bonded in a 2-coordinate geometry to two equivalent O(1) and five equivalent Br(1) atoms. O(1) is bonded to four equivalent Ba(1) atoms to form edge-sharing OBa4 tetrahedra. Br(1) is bonded in a 5-coordinate geometry to five equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba2Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   7.394
_cell_length_c   8.235
_cell_angle_alpha   116.673
_cell_angle_beta   113.910
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.721
_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  0.598  0.909  0.196  1.0
  Ba  Ba1  1  0.402  0.091  0.804  1.0
  Ba  Ba2  1  0.098  0.286  0.196  1.0
  Ba  Ba3  1  0.902  0.714  0.804  1.0
  Br  Br4  1  0.853  0.205  0.707  1.0
  Br  Br5  1  0.147  0.795  0.293  1.0
  Br  Br6  1  0.353  0.502  0.707  1.0
  Br  Br7  1  0.647  0.498  0.293  1.0
  O  O8  1  0.750  0.000  0.000  1.0
  O  O9  1  0.250  0.000  0.000  1.0
[/CIF]
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