The structure described by Ba(OH)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), one H(3), one H(4), one O(1), one O(2), one O(3), and one O(4) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one H(1), two equivalent H(2), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Ba(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(3) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one H(4) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one H(1) atom. In the fourth O site, O(2) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(HO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.263
_cell_length_b   7.045
_cell_length_c   10.763
_cell_angle_alpha   57.290
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   527.120
_cell_formula_units_Z   8
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  0.866  0.332  0.904  1.0
  Ba  Ba1  1  0.634  0.332  0.404  1.0
  Ba  Ba2  1  0.134  0.668  0.096  1.0
  Ba  Ba3  1  0.366  0.668  0.596  1.0
  Ba  Ba4  1  0.960  0.966  0.329  1.0
  Ba  Ba5  1  0.540  0.966  0.829  1.0
  Ba  Ba6  1  0.040  0.034  0.671  1.0
  Ba  Ba7  1  0.460  0.034  0.171  1.0
  H  H8  1  0.984  0.573  0.617  1.0
  H  H9  1  0.516  0.573  0.117  1.0
  H  H10  1  0.016  0.427  0.383  1.0
  H  H11  1  0.484  0.427  0.883  1.0
  H  H12  1  0.199  0.239  0.176  1.0
  H  H13  1  0.301  0.239  0.676  1.0
  H  H14  1  0.801  0.761  0.824  1.0
  H  H15  1  0.699  0.761  0.324  1.0
  H  H16  1  0.186  0.180  0.925  1.0
  H  H17  1  0.314  0.180  0.425  1.0
  H  H18  1  0.814  0.820  0.075  1.0
  H  H19  1  0.686  0.820  0.575  1.0
  H  H20  1  0.248  0.550  0.398  1.0
  H  H21  1  0.252  0.550  0.898  1.0
  H  H22  1  0.752  0.450  0.602  1.0
  H  H23  1  0.748  0.450  0.102  1.0
  O  O24  1  0.031  0.694  0.623  1.0
  O  O25  1  0.469  0.694  0.123  1.0
  O  O26  1  0.969  0.306  0.377  1.0
  O  O27  1  0.531  0.306  0.877  1.0
  O  O28  1  0.144  0.272  0.085  1.0
  O  O29  1  0.356  0.272  0.585  1.0
  O  O30  1  0.856  0.728  0.915  1.0
  O  O31  1  0.644  0.728  0.415  1.0
  O  O32  1  0.158  0.119  0.865  1.0
  O  O33  1  0.342  0.119  0.365  1.0
  O  O34  1  0.842  0.881  0.135  1.0
  O  O35  1  0.658  0.881  0.635  1.0
  O  O36  1  0.197  0.698  0.335  1.0
  O  O37  1  0.303  0.698  0.835  1.0
  O  O38  1  0.803  0.302  0.665  1.0
  O  O39  1  0.697  0.302  0.165  1.0
[/CIF]
.
The structure described by Ba(OH)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one H(1), one H(2), one H(3), one H(4), one O(1), one O(2), one O(3), and one O(4) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one H(1), two equivalent H(2), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Ba(1) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(1) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(3) atom. In the second O site, O(4) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one H(4) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one H(1) atom. In the fourth O site, O(2) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(HO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.263
_cell_length_b   7.045
_cell_length_c   10.763
_cell_angle_alpha   57.290
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   527.120
_cell_formula_units_Z   8
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  0.866  0.332  0.904  1.0
  Ba  Ba1  1  0.634  0.332  0.404  1.0
  Ba  Ba2  1  0.134  0.668  0.096  1.0
  Ba  Ba3  1  0.366  0.668  0.596  1.0
  Ba  Ba4  1  0.960  0.966  0.329  1.0
  Ba  Ba5  1  0.540  0.966  0.829  1.0
  Ba  Ba6  1  0.040  0.034  0.671  1.0
  Ba  Ba7  1  0.460  0.034  0.171  1.0
  H  H8  1  0.984  0.573  0.617  1.0
  H  H9  1  0.516  0.573  0.117  1.0
  H  H10  1  0.016  0.427  0.383  1.0
  H  H11  1  0.484  0.427  0.883  1.0
  H  H12  1  0.199  0.239  0.176  1.0
  H  H13  1  0.301  0.239  0.676  1.0
  H  H14  1  0.801  0.761  0.824  1.0
  H  H15  1  0.699  0.761  0.324  1.0
  H  H16  1  0.186  0.180  0.925  1.0
  H  H17  1  0.314  0.180  0.425  1.0
  H  H18  1  0.814  0.820  0.075  1.0
  H  H19  1  0.686  0.820  0.575  1.0
  H  H20  1  0.248  0.550  0.398  1.0
  H  H21  1  0.252  0.550  0.898  1.0
  H  H22  1  0.752  0.450  0.602  1.0
  H  H23  1  0.748  0.450  0.102  1.0
  O  O24  1  0.031  0.694  0.623  1.0
  O  O25  1  0.469  0.694  0.123  1.0
  O  O26  1  0.969  0.306  0.377  1.0
  O  O27  1  0.531  0.306  0.877  1.0
  O  O28  1  0.144  0.272  0.085  1.0
  O  O29  1  0.356  0.272  0.585  1.0
  O  O30  1  0.856  0.728  0.915  1.0
  O  O31  1  0.644  0.728  0.415  1.0
  O  O32  1  0.158  0.119  0.865  1.0
  O  O33  1  0.342  0.119  0.365  1.0
  O  O34  1  0.842  0.881  0.135  1.0
  O  O35  1  0.658  0.881  0.635  1.0
  O  O36  1  0.197  0.698  0.335  1.0
  O  O37  1  0.303  0.698  0.835  1.0
  O  O38  1  0.803  0.302  0.665  1.0
  O  O39  1  0.697  0.302  0.165  1.0
[/CIF]
.