The material described by H7O3Cl crystallizes in the monoclinic Cc space group. There are seven 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 distorted 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(3) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(2) and one O(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) and one Cl(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like 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(6) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. Cl(1) is bonded in a 4-coordinate geometry to one H(1), one H(2), one H(3), and one H(7) atom. is represented by the CIF card [CIF]
data_H7ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.256
_cell_length_b   6.256
_cell_length_c   6.675
_cell_angle_alpha   70.893
_cell_angle_beta   70.893
_cell_angle_gamma   106.660
_symmetry_Int_Tables_number   1
_cell_volume   209.328
_cell_formula_units_Z   2
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  0.805  0.820  0.554  1.0
  H  H1  1  0.682  0.923  0.398  1.0
  H  H2  1  0.820  0.805  0.054  1.0
  H  H3  1  0.923  0.682  0.898  1.0
  H  H4  1  0.178  0.310  0.761  1.0
  H  H5  1  0.465  0.534  0.620  1.0
  H  H6  1  0.534  0.465  0.120  1.0
  H  H7  1  0.310  0.178  0.261  1.0
  H  H8  1  0.516  0.949  0.724  1.0
  H  H9  1  0.409  0.211  0.724  1.0
  H  H10  1  0.568  0.067  0.891  1.0
  H  H11  1  0.949  0.516  0.224  1.0
  H  H12  1  0.211  0.409  0.224  1.0
  H  H13  1  0.067  0.568  0.391  1.0
  Cl  Cl14  1  0.143  0.821  0.525  1.0
  Cl  Cl15  1  0.821  0.143  0.025  1.0
  O  O16  1  0.641  0.810  0.562  1.0
  O  O17  1  0.810  0.641  0.062  1.0
  O  O18  1  0.355  0.363  0.646  1.0
  O  O19  1  0.363  0.355  0.146  1.0
  O  O20  1  0.450  0.022  0.827  1.0
  O  O21  1  0.022  0.450  0.327  1.0
[/CIF]
.
The material described by H7O3Cl crystallizes in the monoclinic Cc space group. There are seven 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 distorted 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(3) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(2) and one O(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) and one Cl(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like 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(6) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. Cl(1) is bonded in a 4-coordinate geometry to one H(1), one H(2), one H(3), and one H(7) atom. is represented by the CIF card [CIF]
data_H7ClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.256
_cell_length_b   6.256
_cell_length_c   6.675
_cell_angle_alpha   70.893
_cell_angle_beta   70.893
_cell_angle_gamma   106.660
_symmetry_Int_Tables_number   1
_cell_volume   209.328
_cell_formula_units_Z   2
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  0.805  0.820  0.554  1.0
  H  H1  1  0.682  0.923  0.398  1.0
  H  H2  1  0.820  0.805  0.054  1.0
  H  H3  1  0.923  0.682  0.898  1.0
  H  H4  1  0.178  0.310  0.761  1.0
  H  H5  1  0.465  0.534  0.620  1.0
  H  H6  1  0.534  0.465  0.120  1.0
  H  H7  1  0.310  0.178  0.261  1.0
  H  H8  1  0.516  0.949  0.724  1.0
  H  H9  1  0.409  0.211  0.724  1.0
  H  H10  1  0.568  0.067  0.891  1.0
  H  H11  1  0.949  0.516  0.224  1.0
  H  H12  1  0.211  0.409  0.224  1.0
  H  H13  1  0.067  0.568  0.391  1.0
  Cl  Cl14  1  0.143  0.821  0.525  1.0
  Cl  Cl15  1  0.821  0.143  0.025  1.0
  O  O16  1  0.641  0.810  0.562  1.0
  O  O17  1  0.810  0.641  0.062  1.0
  O  O18  1  0.355  0.363  0.646  1.0
  O  O19  1  0.363  0.355  0.146  1.0
  O  O20  1  0.450  0.022  0.827  1.0
  O  O21  1  0.022  0.450  0.327  1.0
[/CIF]
.