The material described by Cd2H2SO6 crystallizes in the monoclinic C2/c space group. Cd(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one H(1) atom. is represented by the CIF card [CIF]
data_Cd2H2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.955
_cell_length_b   6.955
_cell_length_c   6.471
_cell_angle_alpha   67.913
_cell_angle_beta   112.087
_cell_angle_gamma   112.547
_symmetry_Int_Tables_number   1
_cell_volume   257.898
_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
  Cd  Cd0  1  0.849  0.347  0.813  1.0
  Cd  Cd1  1  0.347  0.849  0.687  1.0
  Cd  Cd2  1  0.151  0.653  0.187  1.0
  Cd  Cd3  1  0.653  0.151  0.313  1.0
  H  H4  1  0.771  0.949  0.811  1.0
  H  H5  1  0.949  0.771  0.689  1.0
  H  H6  1  0.229  0.051  0.189  1.0
  H  H7  1  0.051  0.229  0.311  1.0
  S  S8  1  0.312  0.312  0.750  1.0
  S  S9  1  0.688  0.688  0.250  1.0
  O  O10  1  0.314  0.533  0.596  1.0
  O  O11  1  0.533  0.314  0.904  1.0
  O  O12  1  0.686  0.467  0.404  1.0
  O  O13  1  0.467  0.686  0.096  1.0
  O  O14  1  0.164  0.245  0.893  1.0
  O  O15  1  0.245  0.164  0.607  1.0
  O  O16  1  0.836  0.755  0.107  1.0
  O  O17  1  0.755  0.836  0.393  1.0
  O  O18  1  0.687  0.047  0.701  1.0
  O  O19  1  0.047  0.687  0.799  1.0
  O  O20  1  0.313  0.953  0.299  1.0
  O  O21  1  0.953  0.313  0.201  1.0
[/CIF]
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The material described by Cd2H2SO6 crystallizes in the monoclinic C2/c space group. Cd(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted CdO6 octahedra that share corners with two equivalent Cd(1)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra, and edges with three equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with six equivalent Cd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cd(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one H(1) atom. is represented by the CIF card [CIF]
data_Cd2H2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.955
_cell_length_b   6.955
_cell_length_c   6.471
_cell_angle_alpha   67.913
_cell_angle_beta   112.087
_cell_angle_gamma   112.547
_symmetry_Int_Tables_number   1
_cell_volume   257.898
_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
  Cd  Cd0  1  0.849  0.347  0.813  1.0
  Cd  Cd1  1  0.347  0.849  0.687  1.0
  Cd  Cd2  1  0.151  0.653  0.187  1.0
  Cd  Cd3  1  0.653  0.151  0.313  1.0
  H  H4  1  0.771  0.949  0.811  1.0
  H  H5  1  0.949  0.771  0.689  1.0
  H  H6  1  0.229  0.051  0.189  1.0
  H  H7  1  0.051  0.229  0.311  1.0
  S  S8  1  0.312  0.312  0.750  1.0
  S  S9  1  0.688  0.688  0.250  1.0
  O  O10  1  0.314  0.533  0.596  1.0
  O  O11  1  0.533  0.314  0.904  1.0
  O  O12  1  0.686  0.467  0.404  1.0
  O  O13  1  0.467  0.686  0.096  1.0
  O  O14  1  0.164  0.245  0.893  1.0
  O  O15  1  0.245  0.164  0.607  1.0
  O  O16  1  0.836  0.755  0.107  1.0
  O  O17  1  0.755  0.836  0.393  1.0
  O  O18  1  0.687  0.047  0.701  1.0
  O  O19  1  0.047  0.687  0.799  1.0
  O  O20  1  0.313  0.953  0.299  1.0
  O  O21  1  0.953  0.313  0.201  1.0
[/CIF]
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