The material described by Ba2OI2 crystallizes in the orthorhombic Ibam space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent O(1) and six equivalent I(1) atoms. O(1) is bonded to four equivalent Ba(1) atoms to form distorted edge-sharing OBa4 tetrahedra. I(1) is bonded in a 6-coordinate geometry to six equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   7.619
_cell_length_c   8.722
_cell_angle_alpha   115.911
_cell_angle_beta   113.252
_cell_angle_gamma   90.043
_symmetry_Int_Tables_number   1
_cell_volume   370.326
_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  0.407  0.232  0.814  1.0
  Ba  Ba1  1  0.593  0.768  0.186  1.0
  Ba  Ba2  1  0.093  0.418  0.187  1.0
  Ba  Ba3  1  0.907  0.582  0.813  1.0
  I  I4  1  0.350  0.693  0.701  1.0
  I  I5  1  0.850  0.007  0.701  1.0
  I  I6  1  0.150  0.993  0.299  1.0
  I  I7  1  0.650  0.307  0.299  1.0
  O  O8  1  0.250  0.500  1.000  1.0
  O  O9  1  0.750  0.500  0.000  1.0
[/CIF]
.
The material described by Ba2OI2 crystallizes in the orthorhombic Ibam space group. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent O(1) and six equivalent I(1) atoms. O(1) is bonded to four equivalent Ba(1) atoms to form distorted edge-sharing OBa4 tetrahedra. I(1) is bonded in a 6-coordinate geometry to six equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.896
_cell_length_b   7.619
_cell_length_c   8.722
_cell_angle_alpha   115.911
_cell_angle_beta   113.252
_cell_angle_gamma   90.043
_symmetry_Int_Tables_number   1
_cell_volume   370.326
_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  0.407  0.232  0.814  1.0
  Ba  Ba1  1  0.593  0.768  0.186  1.0
  Ba  Ba2  1  0.093  0.418  0.187  1.0
  Ba  Ba3  1  0.907  0.582  0.813  1.0
  I  I4  1  0.350  0.693  0.701  1.0
  I  I5  1  0.850  0.007  0.701  1.0
  I  I6  1  0.150  0.993  0.299  1.0
  I  I7  1  0.650  0.307  0.299  1.0
  O  O8  1  0.250  0.500  1.000  1.0
  O  O9  1  0.750  0.500  0.000  1.0
[/CIF]
.