The structure described by TiH2SO6 crystallizes in the orthorhombic P2_12_12_1 space group. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with three equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one H(1), and one H(2) atom. In the third O site, O(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the fourth O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a linear geometry to one Ti(1) and one S(1) atom. is represented by the CIF file [CIF]
data_TiH2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   8.780
_cell_length_c   10.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.797
_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
  Ti  Ti0  1  0.241  0.712  0.378  1.0
  Ti  Ti1  1  0.741  0.788  0.622  1.0
  Ti  Ti2  1  0.759  0.212  0.122  1.0
  Ti  Ti3  1  0.259  0.288  0.878  1.0
  H  H4  1  0.885  0.930  0.028  1.0
  H  H5  1  0.385  0.570  0.972  1.0
  H  H6  1  0.115  0.430  0.472  1.0
  H  H7  1  0.615  0.070  0.528  1.0
  H  H8  1  0.571  0.930  0.046  1.0
  H  H9  1  0.071  0.570  0.954  1.0
  H  H10  1  0.429  0.430  0.454  1.0
  H  H11  1  0.929  0.070  0.546  1.0
  S  S12  1  0.763  0.584  0.177  1.0
  S  S13  1  0.263  0.916  0.823  1.0
  S  S14  1  0.237  0.084  0.323  1.0
  S  S15  1  0.737  0.416  0.677  1.0
  O  O16  1  0.966  0.737  0.481  1.0
  O  O17  1  0.466  0.763  0.519  1.0
  O  O18  1  0.034  0.237  0.019  1.0
  O  O19  1  0.534  0.263  0.981  1.0
  O  O20  1  0.722  0.612  0.034  1.0
  O  O21  1  0.222  0.888  0.966  1.0
  O  O22  1  0.278  0.112  0.466  1.0
  O  O23  1  0.778  0.388  0.534  1.0
  O  O24  1  0.253  0.915  0.294  1.0
  O  O25  1  0.753  0.585  0.706  1.0
  O  O26  1  0.747  0.415  0.206  1.0
  O  O27  1  0.247  0.085  0.794  1.0
  O  O28  1  0.566  0.660  0.260  1.0
  O  O29  1  0.066  0.840  0.740  1.0
  O  O30  1  0.434  0.160  0.240  1.0
  O  O31  1  0.934  0.340  0.760  1.0
  O  O32  1  0.028  0.636  0.215  1.0
  O  O33  1  0.528  0.864  0.785  1.0
  O  O34  1  0.972  0.136  0.285  1.0
  O  O35  1  0.472  0.364  0.715  1.0
  O  O36  1  0.735  0.980  0.072  1.0
  O  O37  1  0.235  0.520  0.928  1.0
  O  O38  1  0.265  0.480  0.428  1.0
  O  O39  1  0.765  0.020  0.572  1.0
[/CIF]
.
The structure described by TiH2SO6 crystallizes in the orthorhombic P2_12_12_1 space group. Ti(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with three equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) 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 Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-38°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one H(1), and one H(2) atom. In the third O site, O(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the fourth O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a linear geometry to one Ti(1) and one S(1) atom. is represented by the CIF file [CIF]
data_TiH2SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.151
_cell_length_b   8.780
_cell_length_c   10.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   452.797
_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
  Ti  Ti0  1  0.241  0.712  0.378  1.0
  Ti  Ti1  1  0.741  0.788  0.622  1.0
  Ti  Ti2  1  0.759  0.212  0.122  1.0
  Ti  Ti3  1  0.259  0.288  0.878  1.0
  H  H4  1  0.885  0.930  0.028  1.0
  H  H5  1  0.385  0.570  0.972  1.0
  H  H6  1  0.115  0.430  0.472  1.0
  H  H7  1  0.615  0.070  0.528  1.0
  H  H8  1  0.571  0.930  0.046  1.0
  H  H9  1  0.071  0.570  0.954  1.0
  H  H10  1  0.429  0.430  0.454  1.0
  H  H11  1  0.929  0.070  0.546  1.0
  S  S12  1  0.763  0.584  0.177  1.0
  S  S13  1  0.263  0.916  0.823  1.0
  S  S14  1  0.237  0.084  0.323  1.0
  S  S15  1  0.737  0.416  0.677  1.0
  O  O16  1  0.966  0.737  0.481  1.0
  O  O17  1  0.466  0.763  0.519  1.0
  O  O18  1  0.034  0.237  0.019  1.0
  O  O19  1  0.534  0.263  0.981  1.0
  O  O20  1  0.722  0.612  0.034  1.0
  O  O21  1  0.222  0.888  0.966  1.0
  O  O22  1  0.278  0.112  0.466  1.0
  O  O23  1  0.778  0.388  0.534  1.0
  O  O24  1  0.253  0.915  0.294  1.0
  O  O25  1  0.753  0.585  0.706  1.0
  O  O26  1  0.747  0.415  0.206  1.0
  O  O27  1  0.247  0.085  0.794  1.0
  O  O28  1  0.566  0.660  0.260  1.0
  O  O29  1  0.066  0.840  0.740  1.0
  O  O30  1  0.434  0.160  0.240  1.0
  O  O31  1  0.934  0.340  0.760  1.0
  O  O32  1  0.028  0.636  0.215  1.0
  O  O33  1  0.528  0.864  0.785  1.0
  O  O34  1  0.972  0.136  0.285  1.0
  O  O35  1  0.472  0.364  0.715  1.0
  O  O36  1  0.735  0.980  0.072  1.0
  O  O37  1  0.235  0.520  0.928  1.0
  O  O38  1  0.265  0.480  0.428  1.0
  O  O39  1  0.765  0.020  0.572  1.0
[/CIF]
.