The material structure described by BaO3 crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1) and two equivalent O(2) atoms to form distorted corner-sharing OBa3O2 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent O(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_BaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.472
_cell_length_b   5.157
_cell_length_c   7.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.770
_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  0.500  0.330  0.984  1.0
  Ba  Ba1  1  0.500  0.670  0.484  1.0
  O  O2  1  0.500  0.163  0.624  1.0
  O  O3  1  0.500  0.837  0.124  1.0
  O  O4  1  0.000  0.890  0.066  1.0
  O  O5  1  0.000  0.110  0.566  1.0
  O  O6  1  0.000  0.436  0.254  1.0
  O  O7  1  0.000  0.564  0.754  1.0
[/CIF]
.
The material structure described by BaO3 crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1) and two equivalent O(2) atoms to form distorted corner-sharing OBa3O2 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent O(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to four equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_BaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.472
_cell_length_b   5.157
_cell_length_c   7.525
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.770
_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  0.500  0.330  0.984  1.0
  Ba  Ba1  1  0.500  0.670  0.484  1.0
  O  O2  1  0.500  0.163  0.624  1.0
  O  O3  1  0.500  0.837  0.124  1.0
  O  O4  1  0.000  0.890  0.066  1.0
  O  O5  1  0.000  0.110  0.566  1.0
  O  O6  1  0.000  0.436  0.254  1.0
  O  O7  1  0.000  0.564  0.754  1.0
[/CIF]
.