The structure described by Ba(OH)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one H(1), one H(16), one H(7), one H(9), one O(1), one O(11), one O(15), one O(16), one O(4), one O(5), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one H(15), one H(2), one H(6), one H(8), one O(10), one O(12), one O(16), one O(2), one O(3), one O(6), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one H(14), one H(3), one H(5), one O(11), one O(13), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one H(13), one H(4), one O(1), one O(10), one O(12), one O(14), one O(4), one O(6), and one O(8) atom. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one H(1), one H(10), one H(5), one H(8), one O(1), one O(10), one O(11), one O(13), one O(16), one O(3), and one O(5) atom. In the sixth Ba site, Ba(6) is bonded in a 12-coordinate geometry to one H(11), one H(2), one H(4), one H(6), one H(7), one O(12), one O(14), one O(15), one O(2), one O(4), one O(6), and one O(7) atom. In the seventh Ba site, Ba(7) is bonded in a 10-coordinate geometry to one H(3), one H(6), one H(7), one O(1), one O(14), one O(15), one O(3), one O(6), one O(7), and one O(9) atom. In the eighth Ba site, Ba(8) is bonded in a 12-coordinate geometry to one H(11), one H(4), one H(5), one H(8), one H(9), one O(10), one O(11), one O(13), one O(16), one O(2), one O(4), and one O(8) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1), one Ba(5), and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ba(2), one Ba(6), and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Ba(3), one Ba(7), and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(4), one Ba(6), one Ba(8), and one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(8), and one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Ba(2), one Ba(6), one Ba(7), and one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(7), and one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Ba(2), one Ba(5), one Ba(8), and one O(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(1), one Ba(8), and one O(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one Ba(5) and one O(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one Ba(6), one Ba(8), and one O(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one Ba(4) and one O(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one Ba(3) and one O(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one Ba(2) and one O(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one Ba(1) and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(4), one Ba(5), one Ba(7), and one H(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ba(6), one Ba(8), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), and one H(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(4), one Ba(6), one Ba(8), and one H(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(5), and one H(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(6), one Ba(7), and one H(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(6), one Ba(7), and one H(7) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(8), and one H(8) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(7), and one H(9) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(5), one Ba(8), and one H(10) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(5), one Ba(8), and one H(11) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(6), and one H(12) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(8), and one H(13) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(4), one Ba(6), one Ba(7), and one H(14) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(7), and one H(15) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Ba(1), one Ba(2), one Ba(5), one Ba(8), and one H(16) 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   7.192
_cell_length_b   7.924
_cell_length_c   9.303
_cell_angle_alpha   90.874
_cell_angle_beta   96.093
_cell_angle_gamma   92.492
_symmetry_Int_Tables_number   1
_cell_volume   526.569
_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  0.241  0.863  0.907  1.0
  Ba  Ba1  1  0.721  0.633  0.398  1.0
  Ba  Ba2  1  0.774  0.102  0.098  1.0
  Ba  Ba3  1  0.255  0.373  0.622  1.0
  Ba  Ba4  1  0.307  0.979  0.335  1.0
  Ba  Ba5  1  0.795  0.545  0.832  1.0
  Ba  Ba6  1  0.728  0.042  0.681  1.0
  Ba  Ba7  1  0.184  0.469  0.184  1.0
  H  H8  1  0.194  0.970  0.622  1.0
  H  H9  1  0.666  0.492  0.115  1.0
  H  H10  1  0.822  0.033  0.387  1.0
  H  H11  1  0.130  0.397  0.892  1.0
  H  H12  1  0.428  0.228  0.166  1.0
  H  H13  1  0.703  0.355  0.562  1.0
  H  H14  1  0.570  0.787  0.817  1.0
  H  H15  1  0.071  0.726  0.335  1.0
  H  H16  1  0.150  0.179  0.968  1.0
  H  H17  1  0.576  0.261  0.382  1.0
  H  H18  1  0.917  0.744  0.122  1.0
  H  H19  1  0.408  0.731  0.600  1.0
  H  H20  1  0.948  0.259  0.404  1.0
  H  H21  1  0.480  0.256  0.896  1.0
  H  H22  1  0.038  0.753  0.591  1.0
  H  H23  1  0.534  0.737  0.095  1.0
  O  O24  1  0.318  0.029  0.626  1.0
  O  O25  1  0.800  0.472  0.129  1.0
  O  O26  1  0.693  0.985  0.385  1.0
  O  O27  1  0.169  0.519  0.887  1.0
  O  O28  1  0.383  0.151  0.085  1.0
  O  O29  1  0.840  0.363  0.581  1.0
  O  O30  1  0.624  0.845  0.909  1.0
  O  O31  1  0.118  0.661  0.420  1.0
  O  O32  1  0.029  0.177  0.907  1.0
  O  O33  1  0.467  0.332  0.374  1.0
  O  O34  1  0.023  0.825  0.144  1.0
  O  O35  1  0.514  0.665  0.638  1.0
  O  O36  1  0.028  0.201  0.341  1.0
  O  O37  1  0.562  0.283  0.821  1.0
  O  O38  1  0.979  0.802  0.673  1.0
  O  O39  1  0.457  0.708  0.173  1.0
[/CIF]
.
The structure described by Ba(OH)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one H(1), one H(16), one H(7), one H(9), one O(1), one O(11), one O(15), one O(16), one O(4), one O(5), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one H(15), one H(2), one H(6), one H(8), one O(10), one O(12), one O(16), one O(2), one O(3), one O(6), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one H(14), one H(3), one H(5), one O(11), one O(13), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one H(13), one H(4), one O(1), one O(10), one O(12), one O(14), one O(4), one O(6), and one O(8) atom. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one H(1), one H(10), one H(5), one H(8), one O(1), one O(10), one O(11), one O(13), one O(16), one O(3), and one O(5) atom. In the sixth Ba site, Ba(6) is bonded in a 12-coordinate geometry to one H(11), one H(2), one H(4), one H(6), one H(7), one O(12), one O(14), one O(15), one O(2), one O(4), one O(6), and one O(7) atom. In the seventh Ba site, Ba(7) is bonded in a 10-coordinate geometry to one H(3), one H(6), one H(7), one O(1), one O(14), one O(15), one O(3), one O(6), one O(7), and one O(9) atom. In the eighth Ba site, Ba(8) is bonded in a 12-coordinate geometry to one H(11), one H(4), one H(5), one H(8), one H(9), one O(10), one O(11), one O(13), one O(16), one O(2), one O(4), and one O(8) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1), one Ba(5), and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ba(2), one Ba(6), and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Ba(3), one Ba(7), and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(4), one Ba(6), one Ba(8), and one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(8), and one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Ba(2), one Ba(6), one Ba(7), and one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(7), and one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Ba(2), one Ba(5), one Ba(8), and one O(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(1), one Ba(8), and one O(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one Ba(5) and one O(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one Ba(6), one Ba(8), and one O(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one Ba(4) and one O(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one Ba(3) and one O(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one Ba(2) and one O(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one Ba(1) and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(4), one Ba(5), one Ba(7), and one H(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ba(6), one Ba(8), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), and one H(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(4), one Ba(6), one Ba(8), and one H(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(5), and one H(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(6), one Ba(7), and one H(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(6), one Ba(7), and one H(7) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(8), and one H(8) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(7), and one H(9) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(5), one Ba(8), and one H(10) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(5), one Ba(8), and one H(11) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(6), and one H(12) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(8), and one H(13) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(4), one Ba(6), one Ba(7), and one H(14) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(7), and one H(15) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Ba(1), one Ba(2), one Ba(5), one Ba(8), and one H(16) 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   7.192
_cell_length_b   7.924
_cell_length_c   9.303
_cell_angle_alpha   90.874
_cell_angle_beta   96.093
_cell_angle_gamma   92.492
_symmetry_Int_Tables_number   1
_cell_volume   526.569
_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  0.241  0.863  0.907  1.0
  Ba  Ba1  1  0.721  0.633  0.398  1.0
  Ba  Ba2  1  0.774  0.102  0.098  1.0
  Ba  Ba3  1  0.255  0.373  0.622  1.0
  Ba  Ba4  1  0.307  0.979  0.335  1.0
  Ba  Ba5  1  0.795  0.545  0.832  1.0
  Ba  Ba6  1  0.728  0.042  0.681  1.0
  Ba  Ba7  1  0.184  0.469  0.184  1.0
  H  H8  1  0.194  0.970  0.622  1.0
  H  H9  1  0.666  0.492  0.115  1.0
  H  H10  1  0.822  0.033  0.387  1.0
  H  H11  1  0.130  0.397  0.892  1.0
  H  H12  1  0.428  0.228  0.166  1.0
  H  H13  1  0.703  0.355  0.562  1.0
  H  H14  1  0.570  0.787  0.817  1.0
  H  H15  1  0.071  0.726  0.335  1.0
  H  H16  1  0.150  0.179  0.968  1.0
  H  H17  1  0.576  0.261  0.382  1.0
  H  H18  1  0.917  0.744  0.122  1.0
  H  H19  1  0.408  0.731  0.600  1.0
  H  H20  1  0.948  0.259  0.404  1.0
  H  H21  1  0.480  0.256  0.896  1.0
  H  H22  1  0.038  0.753  0.591  1.0
  H  H23  1  0.534  0.737  0.095  1.0
  O  O24  1  0.318  0.029  0.626  1.0
  O  O25  1  0.800  0.472  0.129  1.0
  O  O26  1  0.693  0.985  0.385  1.0
  O  O27  1  0.169  0.519  0.887  1.0
  O  O28  1  0.383  0.151  0.085  1.0
  O  O29  1  0.840  0.363  0.581  1.0
  O  O30  1  0.624  0.845  0.909  1.0
  O  O31  1  0.118  0.661  0.420  1.0
  O  O32  1  0.029  0.177  0.907  1.0
  O  O33  1  0.467  0.332  0.374  1.0
  O  O34  1  0.023  0.825  0.144  1.0
  O  O35  1  0.514  0.665  0.638  1.0
  O  O36  1  0.028  0.201  0.341  1.0
  O  O37  1  0.562  0.283  0.821  1.0
  O  O38  1  0.979  0.802  0.673  1.0
  O  O39  1  0.457  0.708  0.173  1.0
[/CIF]
.