The material described by (H2O)2HCl 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 Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one Cl(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 Cl(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. Cl(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 Crystallographic Information File (CIF) [CIF]
data_H5ClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.984
_cell_length_b   3.924
_cell_length_c   6.713
_cell_angle_alpha   79.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.020
_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  0.226  0.093  1.0
  H  H1  1  0.102  0.774  0.407  1.0
  H  H2  1  0.398  0.774  0.907  1.0
  H  H3  1  0.898  0.226  0.593  1.0
  H  H4  1  0.481  0.218  0.193  1.0
  H  H5  1  0.981  0.782  0.307  1.0
  H  H6  1  0.519  0.782  0.807  1.0
  H  H7  1  0.019  0.218  0.693  1.0
  H  H8  1  0.694  0.709  0.431  1.0
  H  H9  1  0.194  0.291  0.069  1.0
  H  H10  1  0.306  0.291  0.569  1.0
  H  H11  1  0.806  0.709  0.931  1.0
  H  H12  1  0.903  0.434  0.847  1.0
  H  H13  1  0.403  0.566  0.653  1.0
  H  H14  1  0.097  0.566  0.153  1.0
  H  H15  1  0.597  0.434  0.347  1.0
  H  H16  1  0.852  0.380  0.095  1.0
  H  H17  1  0.352  0.620  0.405  1.0
  H  H18  1  0.148  0.620  0.905  1.0
  H  H19  1  0.648  0.380  0.595  1.0
  Cl  Cl20  1  0.827  0.025  0.347  1.0
  Cl  Cl21  1  0.327  0.975  0.153  1.0
  Cl  Cl22  1  0.173  0.975  0.653  1.0
  Cl  Cl23  1  0.673  0.025  0.847  1.0
  O  O24  1  0.557  0.311  0.196  1.0
  O  O25  1  0.057  0.689  0.304  1.0
  O  O26  1  0.443  0.689  0.804  1.0
  O  O27  1  0.943  0.311  0.696  1.0
  O  O28  1  0.628  0.558  0.473  1.0
  O  O29  1  0.128  0.442  0.027  1.0
  O  O30  1  0.372  0.442  0.527  1.0
  O  O31  1  0.872  0.558  0.973  1.0
[/CIF]
.
The material described by (H2O)2HCl 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 Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) and one Cl(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 Cl(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. Cl(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 Crystallographic Information File (CIF) [CIF]
data_H5ClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.984
_cell_length_b   3.924
_cell_length_c   6.713
_cell_angle_alpha   79.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.020
_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  0.226  0.093  1.0
  H  H1  1  0.102  0.774  0.407  1.0
  H  H2  1  0.398  0.774  0.907  1.0
  H  H3  1  0.898  0.226  0.593  1.0
  H  H4  1  0.481  0.218  0.193  1.0
  H  H5  1  0.981  0.782  0.307  1.0
  H  H6  1  0.519  0.782  0.807  1.0
  H  H7  1  0.019  0.218  0.693  1.0
  H  H8  1  0.694  0.709  0.431  1.0
  H  H9  1  0.194  0.291  0.069  1.0
  H  H10  1  0.306  0.291  0.569  1.0
  H  H11  1  0.806  0.709  0.931  1.0
  H  H12  1  0.903  0.434  0.847  1.0
  H  H13  1  0.403  0.566  0.653  1.0
  H  H14  1  0.097  0.566  0.153  1.0
  H  H15  1  0.597  0.434  0.347  1.0
  H  H16  1  0.852  0.380  0.095  1.0
  H  H17  1  0.352  0.620  0.405  1.0
  H  H18  1  0.148  0.620  0.905  1.0
  H  H19  1  0.648  0.380  0.595  1.0
  Cl  Cl20  1  0.827  0.025  0.347  1.0
  Cl  Cl21  1  0.327  0.975  0.153  1.0
  Cl  Cl22  1  0.173  0.975  0.653  1.0
  Cl  Cl23  1  0.673  0.025  0.847  1.0
  O  O24  1  0.557  0.311  0.196  1.0
  O  O25  1  0.057  0.689  0.304  1.0
  O  O26  1  0.443  0.689  0.804  1.0
  O  O27  1  0.943  0.311  0.696  1.0
  O  O28  1  0.628  0.558  0.473  1.0
  O  O29  1  0.128  0.442  0.027  1.0
  O  O30  1  0.372  0.442  0.527  1.0
  O  O31  1  0.872  0.558  0.973  1.0
[/CIF]
.