The material 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 11-coordinate geometry to one H(4), one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(6) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one Ba(1), one O(7), and one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(2) atom. There are twelve 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(1) atom. In the second O site, O(2) is bonded in a 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 water-like geometry to one Ba(1), one Ba(2), one H(6), and one H(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(2) and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one H(4), and one O(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(1) and one H(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(2) and one O(12) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one H(1), and one H(3) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ba(1) and one O(10) atom. is represented by the CIF card [CIF]
data_Ba(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   6.712
_cell_length_c   6.797
_cell_angle_alpha   100.491
_cell_angle_beta   100.707
_cell_angle_gamma   93.655
_symmetry_Int_Tables_number   1
_cell_volume   279.653
_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  0.162  0.766  0.677  1.0
  Ba  Ba1  1  0.857  0.176  0.223  1.0
  H  H2  1  0.352  0.981  0.256  1.0
  H  H3  1  0.322  0.318  0.129  1.0
  H  H4  1  0.628  0.741  0.406  1.0
  H  H5  1  0.571  0.958  0.728  1.0
  H  H6  1  0.302  0.342  0.503  1.0
  H  H7  1  0.003  0.246  0.696  1.0
  H  H8  1  0.776  0.109  0.637  1.0
  H  H9  1  0.876  0.695  0.156  1.0
  O  O10  1  0.264  0.031  0.128  1.0
  O  O11  1  0.894  0.764  0.303  1.0
  O  O12  1  0.838  0.822  0.914  1.0
  O  O13  1  0.930  0.115  0.620  1.0
  O  O14  1  0.409  0.202  0.106  1.0
  O  O15  1  0.747  0.640  0.387  1.0
  O  O16  1  0.628  0.868  0.904  1.0
  O  O17  1  0.181  0.415  0.455  1.0
  O  O18  1  0.518  0.046  0.615  1.0
  O  O19  1  0.918  0.474  0.970  1.0
  O  O20  1  0.464  0.889  0.423  1.0
  O  O21  1  0.117  0.471  0.939  1.0
[/CIF]
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The material 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 11-coordinate geometry to one H(4), one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(11) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(6) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one Ba(1), one O(7), and one O(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(2) atom. There are twelve 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(1) atom. In the second O site, O(2) is bonded in a 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 water-like geometry to one Ba(1), one Ba(2), one H(6), and one H(7) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(2) and one H(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one H(4), and one O(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(1) and one H(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(2) and one O(12) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one H(1), and one H(3) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ba(1) and one O(10) atom. is represented by the CIF card [CIF]
data_Ba(H2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   6.712
_cell_length_c   6.797
_cell_angle_alpha   100.491
_cell_angle_beta   100.707
_cell_angle_gamma   93.655
_symmetry_Int_Tables_number   1
_cell_volume   279.653
_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  0.162  0.766  0.677  1.0
  Ba  Ba1  1  0.857  0.176  0.223  1.0
  H  H2  1  0.352  0.981  0.256  1.0
  H  H3  1  0.322  0.318  0.129  1.0
  H  H4  1  0.628  0.741  0.406  1.0
  H  H5  1  0.571  0.958  0.728  1.0
  H  H6  1  0.302  0.342  0.503  1.0
  H  H7  1  0.003  0.246  0.696  1.0
  H  H8  1  0.776  0.109  0.637  1.0
  H  H9  1  0.876  0.695  0.156  1.0
  O  O10  1  0.264  0.031  0.128  1.0
  O  O11  1  0.894  0.764  0.303  1.0
  O  O12  1  0.838  0.822  0.914  1.0
  O  O13  1  0.930  0.115  0.620  1.0
  O  O14  1  0.409  0.202  0.106  1.0
  O  O15  1  0.747  0.640  0.387  1.0
  O  O16  1  0.628  0.868  0.904  1.0
  O  O17  1  0.181  0.415  0.455  1.0
  O  O18  1  0.518  0.046  0.615  1.0
  O  O19  1  0.918  0.474  0.970  1.0
  O  O20  1  0.464  0.889  0.423  1.0
  O  O21  1  0.117  0.471  0.939  1.0
[/CIF]
.