The material structure described by BaH2O3 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(1) and one H(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Ba(1) and one H(2) atom. is represented by the CIF file [CIF]
data_BaH2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   6.245
_cell_length_c   6.979
_cell_angle_alpha   70.783
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.052
_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  0.250  0.854  0.293  1.0
  Ba  Ba1  1  0.750  0.146  0.707  1.0
  H  H2  1  0.750  0.631  0.058  1.0
  H  H3  1  0.250  0.369  0.942  1.0
  H  H4  1  0.750  0.266  0.163  1.0
  H  H5  1  0.250  0.734  0.837  1.0
  O  O6  1  0.750  0.650  0.617  1.0
  O  O7  1  0.250  0.350  0.383  1.0
  O  O8  1  0.750  0.787  0.056  1.0
  O  O9  1  0.250  0.213  0.944  1.0
  O  O10  1  0.750  0.169  0.306  1.0
  O  O11  1  0.250  0.831  0.694  1.0
[/CIF]
.
The material structure described by BaH2O3 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(1) and one H(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Ba(1) and one H(2) atom. is represented by the CIF file [CIF]
data_BaH2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   6.245
_cell_length_c   6.979
_cell_angle_alpha   70.783
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.052
_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  0.250  0.854  0.293  1.0
  Ba  Ba1  1  0.750  0.146  0.707  1.0
  H  H2  1  0.750  0.631  0.058  1.0
  H  H3  1  0.250  0.369  0.942  1.0
  H  H4  1  0.750  0.266  0.163  1.0
  H  H5  1  0.250  0.734  0.837  1.0
  O  O6  1  0.750  0.650  0.617  1.0
  O  O7  1  0.250  0.350  0.383  1.0
  O  O8  1  0.750  0.787  0.056  1.0
  O  O9  1  0.250  0.213  0.944  1.0
  O  O10  1  0.750  0.169  0.306  1.0
  O  O11  1  0.250  0.831  0.694  1.0
[/CIF]
.