The material structure described by Ba(H2O3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one H(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   5.320
_cell_length_c   8.419
_cell_angle_alpha   83.914
_cell_angle_beta   83.914
_cell_angle_gamma   73.471
_symmetry_Int_Tables_number   1
_cell_volume   226.461
_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  0.205  0.795  0.750  1.0
  Ba  Ba1  1  0.795  0.205  0.250  1.0
  H  H2  1  0.730  0.674  0.546  1.0
  H  H3  1  0.326  0.270  0.954  1.0
  H  H4  1  0.270  0.326  0.454  1.0
  H  H5  1  0.674  0.730  0.046  1.0
  H  H6  1  0.634  0.185  0.627  1.0
  H  H7  1  0.185  0.634  0.127  1.0
  H  H8  1  0.815  0.366  0.873  1.0
  H  H9  1  0.366  0.815  0.373  1.0
  O  O10  1  0.812  0.835  0.542  1.0
  O  O11  1  0.165  0.188  0.958  1.0
  O  O12  1  0.188  0.165  0.458  1.0
  O  O13  1  0.835  0.812  0.042  1.0
  O  O14  1  0.664  0.987  0.677  1.0
  O  O15  1  0.013  0.336  0.823  1.0
  O  O16  1  0.336  0.013  0.323  1.0
  O  O17  1  0.987  0.664  0.177  1.0
  O  O18  1  0.609  0.454  0.555  1.0
  O  O19  1  0.546  0.391  0.945  1.0
  O  O20  1  0.391  0.546  0.445  1.0
  O  O21  1  0.454  0.609  0.055  1.0
[/CIF]
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The material structure described by Ba(H2O3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Ba(1) and one H(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Ba(1) and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one H(1), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   5.320
_cell_length_c   8.419
_cell_angle_alpha   83.914
_cell_angle_beta   83.914
_cell_angle_gamma   73.471
_symmetry_Int_Tables_number   1
_cell_volume   226.461
_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  0.205  0.795  0.750  1.0
  Ba  Ba1  1  0.795  0.205  0.250  1.0
  H  H2  1  0.730  0.674  0.546  1.0
  H  H3  1  0.326  0.270  0.954  1.0
  H  H4  1  0.270  0.326  0.454  1.0
  H  H5  1  0.674  0.730  0.046  1.0
  H  H6  1  0.634  0.185  0.627  1.0
  H  H7  1  0.185  0.634  0.127  1.0
  H  H8  1  0.815  0.366  0.873  1.0
  H  H9  1  0.366  0.815  0.373  1.0
  O  O10  1  0.812  0.835  0.542  1.0
  O  O11  1  0.165  0.188  0.958  1.0
  O  O12  1  0.188  0.165  0.458  1.0
  O  O13  1  0.835  0.812  0.042  1.0
  O  O14  1  0.664  0.987  0.677  1.0
  O  O15  1  0.013  0.336  0.823  1.0
  O  O16  1  0.336  0.013  0.323  1.0
  O  O17  1  0.987  0.664  0.177  1.0
  O  O18  1  0.609  0.454  0.555  1.0
  O  O19  1  0.546  0.391  0.945  1.0
  O  O20  1  0.391  0.546  0.445  1.0
  O  O21  1  0.454  0.609  0.055  1.0
[/CIF]
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