The material described by HBO2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(5) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(2) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one B(2), one B(3), and one H(2) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to one B(2), one H(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a trigonal non-coplanar geometry to one B(3), one H(1), and one H(3) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one B(1), one B(3), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   6.702
_cell_length_c   7.002
_cell_angle_alpha   93.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.649
_cell_formula_units_Z   12
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
  B  B0  1  0.786  0.527  0.241  1.0
  B  B1  1  0.286  0.473  0.259  1.0
  B  B2  1  0.214  0.473  0.759  1.0
  B  B3  1  0.714  0.527  0.741  1.0
  B  B4  1  0.837  0.836  0.101  1.0
  B  B5  1  0.337  0.164  0.399  1.0
  B  B6  1  0.163  0.164  0.899  1.0
  B  B7  1  0.663  0.836  0.601  1.0
  B  B8  1  0.042  0.670  0.268  1.0
  B  B9  1  0.542  0.330  0.232  1.0
  B  B10  1  0.958  0.330  0.732  1.0
  B  B11  1  0.458  0.670  0.768  1.0
  H  H12  1  0.138  0.871  0.488  1.0
  H  H13  1  0.638  0.129  0.012  1.0
  H  H14  1  0.862  0.129  0.512  1.0
  H  H15  1  0.362  0.871  0.988  1.0
  H  H16  1  0.870  0.072  0.954  1.0
  H  H17  1  0.370  0.928  0.546  1.0
  H  H18  1  0.130  0.928  0.046  1.0
  H  H19  1  0.630  0.072  0.454  1.0
  H  H20  1  0.048  0.680  0.575  1.0
  H  H21  1  0.548  0.320  0.925  1.0
  H  H22  1  0.952  0.320  0.425  1.0
  H  H23  1  0.452  0.680  0.075  1.0
  O  O24  1  0.690  0.384  0.293  1.0
  O  O25  1  0.190  0.616  0.207  1.0
  O  O26  1  0.310  0.616  0.707  1.0
  O  O27  1  0.810  0.384  0.793  1.0
  O  O28  1  0.936  0.506  0.285  1.0
  O  O29  1  0.436  0.494  0.215  1.0
  O  O30  1  0.064  0.494  0.715  1.0
  O  O31  1  0.564  0.506  0.785  1.0
  O  O32  1  0.737  0.691  0.150  1.0
  O  O33  1  0.237  0.309  0.350  1.0
  O  O34  1  0.263  0.309  0.850  1.0
  O  O35  1  0.763  0.691  0.650  1.0
  O  O36  1  0.986  0.820  0.144  1.0
  O  O37  1  0.486  0.180  0.356  1.0
  O  O38  1  0.014  0.180  0.856  1.0
  O  O39  1  0.514  0.820  0.644  1.0
  O  O40  1  0.786  0.992  0.003  1.0
  O  O41  1  0.286  0.008  0.497  1.0
  O  O42  1  0.214  0.008  0.997  1.0
  O  O43  1  0.714  0.992  0.503  1.0
  O  O44  1  0.051  0.776  0.472  1.0
  O  O45  1  0.551  0.224  0.028  1.0
  O  O46  1  0.949  0.224  0.528  1.0
  O  O47  1  0.449  0.776  0.972  1.0
[/CIF]
.
The material described by HBO2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(5) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(2) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one B(2), one B(3), and one H(2) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to one B(2), one H(1), and one H(2) atom. In the fourth O site, O(6) is bonded in a trigonal non-coplanar geometry to one B(3), one H(1), and one H(3) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one B(1), one B(3), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.898
_cell_length_b   6.702
_cell_length_c   7.002
_cell_angle_alpha   93.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.649
_cell_formula_units_Z   12
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
  B  B0  1  0.786  0.527  0.241  1.0
  B  B1  1  0.286  0.473  0.259  1.0
  B  B2  1  0.214  0.473  0.759  1.0
  B  B3  1  0.714  0.527  0.741  1.0
  B  B4  1  0.837  0.836  0.101  1.0
  B  B5  1  0.337  0.164  0.399  1.0
  B  B6  1  0.163  0.164  0.899  1.0
  B  B7  1  0.663  0.836  0.601  1.0
  B  B8  1  0.042  0.670  0.268  1.0
  B  B9  1  0.542  0.330  0.232  1.0
  B  B10  1  0.958  0.330  0.732  1.0
  B  B11  1  0.458  0.670  0.768  1.0
  H  H12  1  0.138  0.871  0.488  1.0
  H  H13  1  0.638  0.129  0.012  1.0
  H  H14  1  0.862  0.129  0.512  1.0
  H  H15  1  0.362  0.871  0.988  1.0
  H  H16  1  0.870  0.072  0.954  1.0
  H  H17  1  0.370  0.928  0.546  1.0
  H  H18  1  0.130  0.928  0.046  1.0
  H  H19  1  0.630  0.072  0.454  1.0
  H  H20  1  0.048  0.680  0.575  1.0
  H  H21  1  0.548  0.320  0.925  1.0
  H  H22  1  0.952  0.320  0.425  1.0
  H  H23  1  0.452  0.680  0.075  1.0
  O  O24  1  0.690  0.384  0.293  1.0
  O  O25  1  0.190  0.616  0.207  1.0
  O  O26  1  0.310  0.616  0.707  1.0
  O  O27  1  0.810  0.384  0.793  1.0
  O  O28  1  0.936  0.506  0.285  1.0
  O  O29  1  0.436  0.494  0.215  1.0
  O  O30  1  0.064  0.494  0.715  1.0
  O  O31  1  0.564  0.506  0.785  1.0
  O  O32  1  0.737  0.691  0.150  1.0
  O  O33  1  0.237  0.309  0.350  1.0
  O  O34  1  0.263  0.309  0.850  1.0
  O  O35  1  0.763  0.691  0.650  1.0
  O  O36  1  0.986  0.820  0.144  1.0
  O  O37  1  0.486  0.180  0.356  1.0
  O  O38  1  0.014  0.180  0.856  1.0
  O  O39  1  0.514  0.820  0.644  1.0
  O  O40  1  0.786  0.992  0.003  1.0
  O  O41  1  0.286  0.008  0.497  1.0
  O  O42  1  0.214  0.008  0.997  1.0
  O  O43  1  0.714  0.992  0.503  1.0
  O  O44  1  0.051  0.776  0.472  1.0
  O  O45  1  0.551  0.224  0.028  1.0
  O  O46  1  0.949  0.224  0.528  1.0
  O  O47  1  0.449  0.776  0.972  1.0
[/CIF]
.