The crystal structure described by (H2O)2HBr crystallizes in the monoclinic P2_1/c space group. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Br(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one Br(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one Br(1) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(1) and one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) and one Br(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one H(4) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one H(3), one H(4), and one H(5) atom. Br(1) is bonded in a 4-coordinate geometry to one H(1), one H(2), one H(3), and one H(5) atom. is represented by the CIF card [CIF]
data_H5BrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.360
_cell_length_b   4.142
_cell_length_c   6.958
_cell_angle_alpha   79.188
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.868
_cell_formula_units_Z   4
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
  H  H0  1  0.602  0.244  0.099  1.0
  H  H1  1  0.102  0.756  0.401  1.0
  H  H2  1  0.398  0.756  0.901  1.0
  H  H3  1  0.898  0.244  0.599  1.0
  H  H4  1  0.484  0.234  0.193  1.0
  H  H5  1  0.984  0.766  0.307  1.0
  H  H6  1  0.516  0.766  0.807  1.0
  H  H7  1  0.016  0.234  0.693  1.0
  H  H8  1  0.644  0.392  0.578  1.0
  H  H9  1  0.144  0.608  0.922  1.0
  H  H10  1  0.356  0.608  0.422  1.0
  H  H11  1  0.856  0.392  0.078  1.0
  H  H12  1  0.905  0.441  0.835  1.0
  H  H13  1  0.405  0.559  0.665  1.0
  H  H14  1  0.095  0.559  0.165  1.0
  H  H15  1  0.595  0.441  0.335  1.0
  H  H16  1  0.812  0.702  0.923  1.0
  H  H17  1  0.312  0.298  0.577  1.0
  H  H18  1  0.188  0.298  0.077  1.0
  H  H19  1  0.688  0.702  0.423  1.0
  Br  Br20  1  0.829  0.029  0.343  1.0
  Br  Br21  1  0.329  0.971  0.157  1.0
  Br  Br22  1  0.171  0.971  0.657  1.0
  Br  Br23  1  0.671  0.029  0.843  1.0
  O  O24  1  0.557  0.334  0.192  1.0
  O  O25  1  0.057  0.666  0.308  1.0
  O  O26  1  0.443  0.666  0.808  1.0
  O  O27  1  0.943  0.334  0.692  1.0
  O  O28  1  0.624  0.560  0.461  1.0
  O  O29  1  0.124  0.440  0.039  1.0
  O  O30  1  0.376  0.440  0.539  1.0
  O  O31  1  0.876  0.560  0.961  1.0
[/CIF]
.
The crystal structure described by (H2O)2HBr crystallizes in the monoclinic P2_1/c space group. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one Br(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one Br(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one Br(1) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(1) and one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) and one Br(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one H(4) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one H(3), one H(4), and one H(5) atom. Br(1) is bonded in a 4-coordinate geometry to one H(1), one H(2), one H(3), and one H(5) atom. is represented by the CIF card [CIF]
data_H5BrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.360
_cell_length_b   4.142
_cell_length_c   6.958
_cell_angle_alpha   79.188
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.868
_cell_formula_units_Z   4
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
  H  H0  1  0.602  0.244  0.099  1.0
  H  H1  1  0.102  0.756  0.401  1.0
  H  H2  1  0.398  0.756  0.901  1.0
  H  H3  1  0.898  0.244  0.599  1.0
  H  H4  1  0.484  0.234  0.193  1.0
  H  H5  1  0.984  0.766  0.307  1.0
  H  H6  1  0.516  0.766  0.807  1.0
  H  H7  1  0.016  0.234  0.693  1.0
  H  H8  1  0.644  0.392  0.578  1.0
  H  H9  1  0.144  0.608  0.922  1.0
  H  H10  1  0.356  0.608  0.422  1.0
  H  H11  1  0.856  0.392  0.078  1.0
  H  H12  1  0.905  0.441  0.835  1.0
  H  H13  1  0.405  0.559  0.665  1.0
  H  H14  1  0.095  0.559  0.165  1.0
  H  H15  1  0.595  0.441  0.335  1.0
  H  H16  1  0.812  0.702  0.923  1.0
  H  H17  1  0.312  0.298  0.577  1.0
  H  H18  1  0.188  0.298  0.077  1.0
  H  H19  1  0.688  0.702  0.423  1.0
  Br  Br20  1  0.829  0.029  0.343  1.0
  Br  Br21  1  0.329  0.971  0.157  1.0
  Br  Br22  1  0.171  0.971  0.657  1.0
  Br  Br23  1  0.671  0.029  0.843  1.0
  O  O24  1  0.557  0.334  0.192  1.0
  O  O25  1  0.057  0.666  0.308  1.0
  O  O26  1  0.443  0.666  0.808  1.0
  O  O27  1  0.943  0.334  0.692  1.0
  O  O28  1  0.624  0.560  0.461  1.0
  O  O29  1  0.124  0.440  0.039  1.0
  O  O30  1  0.376  0.440  0.539  1.0
  O  O31  1  0.876  0.560  0.961  1.0
[/CIF]
.