The compound described by LiMnHSO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. Mn(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. H(1) is bonded in a single-bond geometry to one O(1) atom. S(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to two equivalent Li(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.592
_cell_length_b   7.678
_cell_length_c   9.978
_cell_angle_alpha   69.026
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.990
_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
  Li  Li0  1  0.439  0.688  0.086  1.0
  Li  Li1  1  0.939  0.812  0.914  1.0
  Li  Li2  1  0.561  0.312  0.914  1.0
  Li  Li3  1  0.061  0.188  0.086  1.0
  Mn  Mn4  1  0.766  0.876  0.556  1.0
  Mn  Mn5  1  0.266  0.624  0.444  1.0
  Mn  Mn6  1  0.234  0.124  0.444  1.0
  Mn  Mn7  1  0.734  0.376  0.556  1.0
  H  H8  1  0.499  0.403  0.331  1.0
  H  H9  1  0.999  0.097  0.669  1.0
  H  H10  1  0.501  0.597  0.669  1.0
  H  H11  1  0.001  0.903  0.331  1.0
  S  S12  1  0.061  0.507  0.791  1.0
  S  S13  1  0.561  0.993  0.209  1.0
  S  S14  1  0.939  0.493  0.209  1.0
  S  S15  1  0.439  0.007  0.791  1.0
  O  O16  1  0.929  0.128  0.573  1.0
  O  O17  1  0.429  0.372  0.427  1.0
  O  O18  1  0.071  0.872  0.427  1.0
  O  O19  1  0.571  0.628  0.573  1.0
  O  O20  1  0.446  0.966  0.655  1.0
  O  O21  1  0.946  0.534  0.345  1.0
  O  O22  1  0.554  0.034  0.345  1.0
  O  O23  1  0.054  0.466  0.655  1.0
  O  O24  1  0.548  0.195  0.763  1.0
  O  O25  1  0.048  0.305  0.237  1.0
  O  O26  1  0.452  0.805  0.237  1.0
  O  O27  1  0.952  0.695  0.763  1.0
  O  O28  1  0.687  0.493  0.162  1.0
  O  O29  1  0.187  0.007  0.838  1.0
  O  O30  1  0.313  0.507  0.838  1.0
  O  O31  1  0.813  0.993  0.162  1.0
  O  O32  1  0.420  0.136  0.096  1.0
  O  O33  1  0.920  0.364  0.904  1.0
  O  O34  1  0.580  0.864  0.904  1.0
  O  O35  1  0.080  0.636  0.096  1.0
[/CIF]
.
The compound described by LiMnHSO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. Mn(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. H(1) is bonded in a single-bond geometry to one O(1) atom. S(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to two equivalent Li(1) and one S(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnHSO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.592
_cell_length_b   7.678
_cell_length_c   9.978
_cell_angle_alpha   69.026
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.990
_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
  Li  Li0  1  0.439  0.688  0.086  1.0
  Li  Li1  1  0.939  0.812  0.914  1.0
  Li  Li2  1  0.561  0.312  0.914  1.0
  Li  Li3  1  0.061  0.188  0.086  1.0
  Mn  Mn4  1  0.766  0.876  0.556  1.0
  Mn  Mn5  1  0.266  0.624  0.444  1.0
  Mn  Mn6  1  0.234  0.124  0.444  1.0
  Mn  Mn7  1  0.734  0.376  0.556  1.0
  H  H8  1  0.499  0.403  0.331  1.0
  H  H9  1  0.999  0.097  0.669  1.0
  H  H10  1  0.501  0.597  0.669  1.0
  H  H11  1  0.001  0.903  0.331  1.0
  S  S12  1  0.061  0.507  0.791  1.0
  S  S13  1  0.561  0.993  0.209  1.0
  S  S14  1  0.939  0.493  0.209  1.0
  S  S15  1  0.439  0.007  0.791  1.0
  O  O16  1  0.929  0.128  0.573  1.0
  O  O17  1  0.429  0.372  0.427  1.0
  O  O18  1  0.071  0.872  0.427  1.0
  O  O19  1  0.571  0.628  0.573  1.0
  O  O20  1  0.446  0.966  0.655  1.0
  O  O21  1  0.946  0.534  0.345  1.0
  O  O22  1  0.554  0.034  0.345  1.0
  O  O23  1  0.054  0.466  0.655  1.0
  O  O24  1  0.548  0.195  0.763  1.0
  O  O25  1  0.048  0.305  0.237  1.0
  O  O26  1  0.452  0.805  0.237  1.0
  O  O27  1  0.952  0.695  0.763  1.0
  O  O28  1  0.687  0.493  0.162  1.0
  O  O29  1  0.187  0.007  0.838  1.0
  O  O30  1  0.313  0.507  0.838  1.0
  O  O31  1  0.813  0.993  0.162  1.0
  O  O32  1  0.420  0.136  0.096  1.0
  O  O33  1  0.920  0.364  0.904  1.0
  O  O34  1  0.580  0.864  0.904  1.0
  O  O35  1  0.080  0.636  0.096  1.0
[/CIF]
.