The compound described by Mn2H2SO6 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with three equivalent S(1)O4 tetrahedra, and edges with three equivalent Mn(1)O6 pentagonal pyramids. H(1) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with six equivalent Mn(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Mn2H2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   6.611
_cell_length_c   6.611
_cell_angle_alpha   66.829
_cell_angle_beta   70.032
_cell_angle_gamma   70.032
_symmetry_Int_Tables_number   1
_cell_volume   212.744
_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
  Mn  Mn0  1  0.191  0.642  0.847  1.0
  Mn  Mn1  1  0.809  0.358  0.153  1.0
  Mn  Mn2  1  0.309  0.153  0.358  1.0
  Mn  Mn3  1  0.691  0.847  0.642  1.0
  H  H4  1  0.196  0.040  0.780  1.0
  H  H5  1  0.304  0.220  0.960  1.0
  H  H6  1  0.804  0.960  0.220  1.0
  H  H7  1  0.696  0.780  0.040  1.0
  S  S8  1  0.250  0.685  0.315  1.0
  S  S9  1  0.750  0.315  0.685  1.0
  O  O10  1  0.079  0.674  0.544  1.0
  O  O11  1  0.421  0.456  0.326  1.0
  O  O12  1  0.579  0.544  0.674  1.0
  O  O13  1  0.921  0.326  0.456  1.0
  O  O14  1  0.798  0.684  0.945  1.0
  O  O15  1  0.702  0.055  0.316  1.0
  O  O16  1  0.202  0.316  0.055  1.0
  O  O17  1  0.298  0.945  0.684  1.0
  O  O18  1  0.898  0.253  0.850  1.0
  O  O19  1  0.602  0.150  0.747  1.0
  O  O20  1  0.102  0.747  0.150  1.0
  O  O21  1  0.398  0.850  0.253  1.0
[/CIF]
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The compound described by Mn2H2SO6 crystallizes in the monoclinic C2/c space group. Mn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(1)O6 pentagonal pyramids, corners with three equivalent S(1)O4 tetrahedra, and edges with three equivalent Mn(1)O6 pentagonal pyramids. H(1) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with six equivalent Mn(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Mn(1) and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Mn2H2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.803
_cell_length_b   6.611
_cell_length_c   6.611
_cell_angle_alpha   66.829
_cell_angle_beta   70.032
_cell_angle_gamma   70.032
_symmetry_Int_Tables_number   1
_cell_volume   212.744
_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
  Mn  Mn0  1  0.191  0.642  0.847  1.0
  Mn  Mn1  1  0.809  0.358  0.153  1.0
  Mn  Mn2  1  0.309  0.153  0.358  1.0
  Mn  Mn3  1  0.691  0.847  0.642  1.0
  H  H4  1  0.196  0.040  0.780  1.0
  H  H5  1  0.304  0.220  0.960  1.0
  H  H6  1  0.804  0.960  0.220  1.0
  H  H7  1  0.696  0.780  0.040  1.0
  S  S8  1  0.250  0.685  0.315  1.0
  S  S9  1  0.750  0.315  0.685  1.0
  O  O10  1  0.079  0.674  0.544  1.0
  O  O11  1  0.421  0.456  0.326  1.0
  O  O12  1  0.579  0.544  0.674  1.0
  O  O13  1  0.921  0.326  0.456  1.0
  O  O14  1  0.798  0.684  0.945  1.0
  O  O15  1  0.702  0.055  0.316  1.0
  O  O16  1  0.202  0.316  0.055  1.0
  O  O17  1  0.298  0.945  0.684  1.0
  O  O18  1  0.898  0.253  0.850  1.0
  O  O19  1  0.602  0.150  0.747  1.0
  O  O20  1  0.102  0.747  0.150  1.0
  O  O21  1  0.398  0.850  0.253  1.0
[/CIF]
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