The crystal structure described by Cd2H2SO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form CdO6 octahedra that share corners with two equivalent Cd(2)O6 pentagonal pyramids, corners with three equivalent S(1)O4 tetrahedra,  an edgeedge with one Cd(1)O6 octahedra, and edges with two equivalent Cd(2)O6 pentagonal pyramids. In the second Cd site, Cd(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CdO6 pentagonal pyramids that share corners with two equivalent Cd(1)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra, edges with two equivalent Cd(1)O6 octahedra, and  an edgeedge with one Cd(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and corners with three equivalent Cd(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 43-52°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one S(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Cd(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cd(2), two equivalent Cd(1), and one H(2) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Cd(2) and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(2), and one H(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one S(1) atom. is represented by the CIF card [CIF]
data_Cd2H2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.950
_cell_length_b   7.519
_cell_length_c   9.986
_cell_angle_alpha   90.000
_cell_angle_beta   97.321
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.587
_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
  Cd  Cd0  1  0.013  0.537  0.667  1.0
  Cd  Cd1  1  0.324  0.165  0.497  1.0
  Cd  Cd2  1  0.676  0.835  0.503  1.0
  Cd  Cd3  1  0.824  0.335  0.997  1.0
  Cd  Cd4  1  0.487  0.037  0.833  1.0
  Cd  Cd5  1  0.987  0.463  0.333  1.0
  Cd  Cd6  1  0.513  0.963  0.167  1.0
  Cd  Cd7  1  0.176  0.665  0.003  1.0
  H  H8  1  0.870  0.678  0.134  1.0
  H  H9  1  0.370  0.822  0.634  1.0
  H  H10  1  0.470  0.288  0.048  1.0
  H  H11  1  0.530  0.712  0.952  1.0
  H  H12  1  0.970  0.212  0.548  1.0
  H  H13  1  0.030  0.788  0.452  1.0
  H  H14  1  0.630  0.178  0.366  1.0
  H  H15  1  0.130  0.322  0.866  1.0
  S  S16  1  0.473  0.506  0.282  1.0
  S  S17  1  0.027  0.006  0.218  1.0
  S  S18  1  0.973  0.994  0.782  1.0
  S  S19  1  0.527  0.494  0.718  1.0
  O  O20  1  0.654  0.406  0.314  1.0
  O  O21  1  0.947  0.691  0.475  1.0
  O  O22  1  0.154  0.094  0.814  1.0
  O  O23  1  0.104  0.983  0.361  1.0
  O  O24  1  0.553  0.191  0.025  1.0
  O  O25  1  0.944  0.569  0.125  1.0
  O  O26  1  0.056  0.431  0.875  1.0
  O  O27  1  0.896  0.017  0.639  1.0
  O  O28  1  0.053  0.309  0.525  1.0
  O  O29  1  0.493  0.302  0.691  1.0
  O  O30  1  0.396  0.483  0.139  1.0
  O  O31  1  0.444  0.931  0.625  1.0
  O  O32  1  0.846  0.906  0.186  1.0
  O  O33  1  0.556  0.069  0.375  1.0
  O  O34  1  0.007  0.802  0.809  1.0
  O  O35  1  0.604  0.517  0.861  1.0
  O  O36  1  0.670  0.560  0.632  1.0
  O  O37  1  0.830  0.060  0.868  1.0
  O  O38  1  0.346  0.594  0.686  1.0
  O  O39  1  0.507  0.698  0.309  1.0
  O  O40  1  0.447  0.809  0.975  1.0
  O  O41  1  0.170  0.940  0.132  1.0
  O  O42  1  0.330  0.440  0.368  1.0
  O  O43  1  0.993  0.198  0.191  1.0
[/CIF]
.
The crystal structure described by Cd2H2SO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form CdO6 octahedra that share corners with two equivalent Cd(2)O6 pentagonal pyramids, corners with three equivalent S(1)O4 tetrahedra,  an edgeedge with one Cd(1)O6 octahedra, and edges with two equivalent Cd(2)O6 pentagonal pyramids. In the second Cd site, Cd(2) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted CdO6 pentagonal pyramids that share corners with two equivalent Cd(1)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra, edges with two equivalent Cd(1)O6 octahedra, and  an edgeedge with one Cd(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. S(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and corners with three equivalent Cd(2)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 43-52°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one S(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to one Cd(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cd(2), two equivalent Cd(1), and one H(2) atom. In the fourth O site, O(3) is bonded in a 2-coordinate geometry to one Cd(2) and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Cd(1), two equivalent Cd(2), and one H(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Cd(1), one Cd(2), and one S(1) atom. is represented by the CIF card [CIF]
data_Cd2H2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.950
_cell_length_b   7.519
_cell_length_c   9.986
_cell_angle_alpha   90.000
_cell_angle_beta   97.321
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.587
_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
  Cd  Cd0  1  0.013  0.537  0.667  1.0
  Cd  Cd1  1  0.324  0.165  0.497  1.0
  Cd  Cd2  1  0.676  0.835  0.503  1.0
  Cd  Cd3  1  0.824  0.335  0.997  1.0
  Cd  Cd4  1  0.487  0.037  0.833  1.0
  Cd  Cd5  1  0.987  0.463  0.333  1.0
  Cd  Cd6  1  0.513  0.963  0.167  1.0
  Cd  Cd7  1  0.176  0.665  0.003  1.0
  H  H8  1  0.870  0.678  0.134  1.0
  H  H9  1  0.370  0.822  0.634  1.0
  H  H10  1  0.470  0.288  0.048  1.0
  H  H11  1  0.530  0.712  0.952  1.0
  H  H12  1  0.970  0.212  0.548  1.0
  H  H13  1  0.030  0.788  0.452  1.0
  H  H14  1  0.630  0.178  0.366  1.0
  H  H15  1  0.130  0.322  0.866  1.0
  S  S16  1  0.473  0.506  0.282  1.0
  S  S17  1  0.027  0.006  0.218  1.0
  S  S18  1  0.973  0.994  0.782  1.0
  S  S19  1  0.527  0.494  0.718  1.0
  O  O20  1  0.654  0.406  0.314  1.0
  O  O21  1  0.947  0.691  0.475  1.0
  O  O22  1  0.154  0.094  0.814  1.0
  O  O23  1  0.104  0.983  0.361  1.0
  O  O24  1  0.553  0.191  0.025  1.0
  O  O25  1  0.944  0.569  0.125  1.0
  O  O26  1  0.056  0.431  0.875  1.0
  O  O27  1  0.896  0.017  0.639  1.0
  O  O28  1  0.053  0.309  0.525  1.0
  O  O29  1  0.493  0.302  0.691  1.0
  O  O30  1  0.396  0.483  0.139  1.0
  O  O31  1  0.444  0.931  0.625  1.0
  O  O32  1  0.846  0.906  0.186  1.0
  O  O33  1  0.556  0.069  0.375  1.0
  O  O34  1  0.007  0.802  0.809  1.0
  O  O35  1  0.604  0.517  0.861  1.0
  O  O36  1  0.670  0.560  0.632  1.0
  O  O37  1  0.830  0.060  0.868  1.0
  O  O38  1  0.346  0.594  0.686  1.0
  O  O39  1  0.507  0.698  0.309  1.0
  O  O40  1  0.447  0.809  0.975  1.0
  O  O41  1  0.170  0.940  0.132  1.0
  O  O42  1  0.330  0.440  0.368  1.0
  O  O43  1  0.993  0.198  0.191  1.0
[/CIF]
.