The crystal structure described by Ba(H2O3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(7), and two equivalent O(8) atoms. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(12) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(12) and one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(9) atom. In the eighth H site, H(8) is bonded in a distorted linear geometry to one O(10) and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Ba(1) and one O(5) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one H(8) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and one O(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(1) and one H(3) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ba(2) and one O(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to two equivalent Ba(2) and one H(5) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ba(1), one H(2), and one H(7) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(8) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ba(2), one H(4), and one H(6) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one H(1), and one H(5) 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   5.250
_cell_length_b   6.049
_cell_length_c   8.690
_cell_angle_alpha   82.101
_cell_angle_beta   86.976
_cell_angle_gamma   69.946
_symmetry_Int_Tables_number   1
_cell_volume   256.778
_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  0.842  0.143  0.213  1.0
  Ba  Ba1  1  0.157  0.785  0.791  1.0
  H  H2  1  0.347  0.242  0.947  1.0
  H  H3  1  0.246  0.490  0.359  1.0
  H  H4  1  0.721  0.712  0.271  1.0
  H  H5  1  0.665  0.739  0.561  1.0
  H  H6  1  0.844  0.347  0.847  1.0
  H  H7  1  0.563  0.533  0.534  1.0
  H  H8  1  0.413  0.283  0.492  1.0
  H  H9  1  0.645  0.636  0.030  1.0
  O  O10  1  0.273  0.992  0.413  1.0
  O  O11  1  0.846  0.753  0.061  1.0
  O  O12  1  0.816  0.972  0.540  1.0
  O  O13  1  0.197  0.166  0.945  1.0
  O  O14  1  0.403  0.948  0.277  1.0
  O  O15  1  0.903  0.633  0.224  1.0
  O  O16  1  0.625  0.069  0.647  1.0
  O  O17  1  0.041  0.309  0.806  1.0
  O  O18  1  0.423  0.410  0.409  1.0
  O  O19  1  0.492  0.557  0.042  1.0
  O  O20  1  0.633  0.597  0.615  1.0
  O  O21  1  0.565  0.370  0.936  1.0
[/CIF]
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The crystal structure described by Ba(H2O3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), one O(4), one O(6), one O(9), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(7), and two equivalent O(8) atoms. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(12) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(12) and one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(9) atom. In the eighth H site, H(8) is bonded in a distorted linear geometry to one O(10) and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Ba(1) and one O(5) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one H(8) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one O(7) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and one O(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(1) and one H(3) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ba(2) and one O(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to two equivalent Ba(2) and one H(5) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ba(1), one H(2), and one H(7) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(8) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ba(2), one H(4), and one H(6) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one H(1), and one H(5) 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   5.250
_cell_length_b   6.049
_cell_length_c   8.690
_cell_angle_alpha   82.101
_cell_angle_beta   86.976
_cell_angle_gamma   69.946
_symmetry_Int_Tables_number   1
_cell_volume   256.778
_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  0.842  0.143  0.213  1.0
  Ba  Ba1  1  0.157  0.785  0.791  1.0
  H  H2  1  0.347  0.242  0.947  1.0
  H  H3  1  0.246  0.490  0.359  1.0
  H  H4  1  0.721  0.712  0.271  1.0
  H  H5  1  0.665  0.739  0.561  1.0
  H  H6  1  0.844  0.347  0.847  1.0
  H  H7  1  0.563  0.533  0.534  1.0
  H  H8  1  0.413  0.283  0.492  1.0
  H  H9  1  0.645  0.636  0.030  1.0
  O  O10  1  0.273  0.992  0.413  1.0
  O  O11  1  0.846  0.753  0.061  1.0
  O  O12  1  0.816  0.972  0.540  1.0
  O  O13  1  0.197  0.166  0.945  1.0
  O  O14  1  0.403  0.948  0.277  1.0
  O  O15  1  0.903  0.633  0.224  1.0
  O  O16  1  0.625  0.069  0.647  1.0
  O  O17  1  0.041  0.309  0.806  1.0
  O  O18  1  0.423  0.410  0.409  1.0
  O  O19  1  0.492  0.557  0.042  1.0
  O  O20  1  0.633  0.597  0.615  1.0
  O  O21  1  0.565  0.370  0.936  1.0
[/CIF]
.