The compound described by Ba(H2O3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(4) and one O(5) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(1) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one O(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ba(2), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one H(3), and one O(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(2) and one H(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(2) and one H(4) 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   6.501
_cell_length_b   6.501
_cell_length_c   6.460
_cell_angle_alpha   86.402
_cell_angle_beta   86.402
_cell_angle_gamma   97.382
_symmetry_Int_Tables_number   1
_cell_volume   269.520
_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  0.169  0.831  0.500  1.0
  Ba  Ba1  1  0.834  0.166  0.000  1.0
  H  H2  1  0.623  0.615  0.779  1.0
  H  H3  1  0.822  0.663  0.890  1.0
  H  H4  1  0.385  0.377  0.221  1.0
  H  H5  1  0.337  0.178  0.110  1.0
  H  H6  1  0.014  0.411  0.423  1.0
  H  H7  1  0.589  0.986  0.577  1.0
  H  H8  1  0.077  0.639  0.047  1.0
  H  H9  1  0.361  0.923  0.953  1.0
  O  O10  1  0.053  0.813  0.935  1.0
  O  O11  1  0.187  0.947  0.065  1.0
  O  O12  1  0.126  0.206  0.669  1.0
  O  O13  1  0.794  0.874  0.331  1.0
  O  O14  1  0.755  0.561  0.801  1.0
  O  O15  1  0.439  0.245  0.199  1.0
  O  O16  1  0.155  0.410  0.608  1.0
  O  O17  1  0.590  0.845  0.392  1.0
  O  O18  1  0.935  0.447  0.297  1.0
  O  O19  1  0.553  0.065  0.703  1.0
  O  O20  1  0.114  0.497  0.141  1.0
  O  O21  1  0.503  0.886  0.859  1.0
[/CIF]
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The compound described by Ba(H2O3)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(4) and one O(5) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(1) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one O(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ba(2), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one H(3), and one O(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(2) and one H(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(2) and one H(4) 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   6.501
_cell_length_b   6.501
_cell_length_c   6.460
_cell_angle_alpha   86.402
_cell_angle_beta   86.402
_cell_angle_gamma   97.382
_symmetry_Int_Tables_number   1
_cell_volume   269.520
_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  0.169  0.831  0.500  1.0
  Ba  Ba1  1  0.834  0.166  0.000  1.0
  H  H2  1  0.623  0.615  0.779  1.0
  H  H3  1  0.822  0.663  0.890  1.0
  H  H4  1  0.385  0.377  0.221  1.0
  H  H5  1  0.337  0.178  0.110  1.0
  H  H6  1  0.014  0.411  0.423  1.0
  H  H7  1  0.589  0.986  0.577  1.0
  H  H8  1  0.077  0.639  0.047  1.0
  H  H9  1  0.361  0.923  0.953  1.0
  O  O10  1  0.053  0.813  0.935  1.0
  O  O11  1  0.187  0.947  0.065  1.0
  O  O12  1  0.126  0.206  0.669  1.0
  O  O13  1  0.794  0.874  0.331  1.0
  O  O14  1  0.755  0.561  0.801  1.0
  O  O15  1  0.439  0.245  0.199  1.0
  O  O16  1  0.155  0.410  0.608  1.0
  O  O17  1  0.590  0.845  0.392  1.0
  O  O18  1  0.935  0.447  0.297  1.0
  O  O19  1  0.553  0.065  0.703  1.0
  O  O20  1  0.114  0.497  0.141  1.0
  O  O21  1  0.503  0.886  0.859  1.0
[/CIF]
.