data_KMnH4Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.87
_cell_length_c   9.17
_cell_angle_alpha   69.29
_cell_angle_beta   88.51
_cell_angle_gamma   67.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnH4Cl3O2
_chemical_formula_sum   'K2 Mn2 H8 Cl6 O4'
_cell_volume   345.33
_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
  K  K14  1  0.14  0.97  0.84  1.0
  K  K15  1  0.19  0.78  0.66  1.0
  Mn  Mn16  1  0.26  0.48  0.73  1.0
  Mn  Mn17  1  0.07  0.26  0.77  1.0
  H  H6  1  0.69  0.96  0.05  1.0
  H  H7  1  0.66  0.67  0.9  1.0
  H  H8  1  0.95  0.77  0.01  1.0
  H  H9  1  0.81  0.57  0.27  1.0
  H  H10  1  0.52  0.18  0.23  1.0
  H  H11  1  0.38  0.97  0.49  1.0
  H  H12  1  0.67  0.08  0.61  1.0
  H  H13  1  0.65  0.79  0.46  1.0
  Cl  Cl0  1  0.5  0.12  0.09  1.0
  Cl  Cl1  1  0.92  0.68  0.92  1.0
  Cl  Cl2  1  0.09  0.69  0.26  1.0
  Cl  Cl3  1  0.24  0.05  0.25  1.0
  Cl  Cl4  1  0.41  0.07  0.59  1.0
  Cl  Cl5  1  0.83  0.63  0.42  1.0
  O  O18  1  0.63  0.67  0.1  1.0
  O  O19  1  0.59  0.51  0.34  1.0
  O  O20  1  0.74  0.24  0.17  1.0
  O  O21  1  0.7  0.08  0.41  1.0

data_KMnH4Cl3O2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.42
_cell_length_b   6.87
_cell_length_c   9.17
_cell_angle_alpha   69.29
_cell_angle_beta   88.51
_cell_angle_gamma   67.07
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KMnH4Cl3O2
_chemical_formula_sum   'K2 Mn2 H8 Cl6 O4'
_cell_volume   345.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  K  K0  2  0.03  0.41  0.41  1.0
  Mn  Mn1  2  0.09  0.11  0.48  1.0
  H  H2  2  0.21  0.6  0.24  1.0
  H  H3  2  0.35  0.8  0.98  1.0
  H  H4  2  0.48  0.41  0.2  1.0
  H  H5  2  0.5  0.29  0.64  1.0
  Cl  Cl6  2  0.07  0.68  1.0  1.0
  Cl  Cl7  2  0.24  0.7  0.33  1.0
  Cl  Cl8  2  0.33  0.75  0.84  1.0
  O  O9  2  0.43  0.13  0.09  1.0
  O  O10  2  0.47  0.3  0.84  1.0

K K Mn Mn H H H H H H H H Cl Cl Cl Cl Cl Cl O O O O
(KMnH2Cl)2((OH)2Cl)2Cl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two hydrochloric acid atoms, two (OH)2Cl clusters, and two KMnH2Cl clusters. In each (OH)2Cl cluster, there are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cl(1) atom. The H(1)-Cl(1) bond length is 1.43 Å. In the second H site, H(4) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one Cl(1) atom. The H(4)-O(1) bond length is 1.74 Å. The H(4)-O(2) bond length is 1.67 Å. The H(4)-Cl(1) bond length is 1.53 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one H(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one H(4) atom. Cl(1) is bonded in a bent 120 degrees geometry to one H(1) and one H(4) atom. In each KMnH2Cl cluster, K(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one H(3) atom. The K(1)-Mn(1) bond length is 1.78 Å. The K(1)-H(3) bond length is 2.29 Å. Mn(1) is bonded in a distorted single-bond geometry to one K(1) atom. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one Cl(2) atom. The H(2)-Cl(2) bond length is 1.70 Å. In the second H site, H(3) is bonded in a distorted L-shaped geometry to one K(1) and one Cl(2) atom. The H(3)-Cl(2) bond length is 1.32 Å. Cl(2) is bonded in a distorted bent 120 degrees geometry to one H(2) and one H(3) atom.