The material described by H4SO5 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one H(3) and one S(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one H(4) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H4SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.969
_cell_length_b   6.912
_cell_length_c   7.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.668
_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
  H  H0  1  0.149  0.101  0.596  1.0
  H  H1  1  0.351  0.899  0.096  1.0
  H  H2  1  0.649  0.399  0.404  1.0
  H  H3  1  0.851  0.601  0.904  1.0
  H  H4  1  0.263  0.591  0.299  1.0
  H  H5  1  0.237  0.409  0.799  1.0
  H  H6  1  0.763  0.909  0.701  1.0
  H  H7  1  0.737  0.091  0.201  1.0
  H  H8  1  0.132  0.446  0.419  1.0
  H  H9  1  0.368  0.554  0.919  1.0
  H  H10  1  0.632  0.054  0.581  1.0
  H  H11  1  0.868  0.946  0.081  1.0
  H  H12  1  0.213  0.367  0.230  1.0
  H  H13  1  0.287  0.633  0.730  1.0
  H  H14  1  0.713  0.133  0.770  1.0
  H  H15  1  0.787  0.867  0.270  1.0
  S  S16  1  0.326  0.918  0.450  1.0
  S  S17  1  0.174  0.082  0.950  1.0
  S  S18  1  0.826  0.582  0.550  1.0
  S  S19  1  0.674  0.418  0.050  1.0
  O  O20  1  0.288  0.822  0.288  1.0
  O  O21  1  0.212  0.178  0.788  1.0
  O  O22  1  0.788  0.678  0.712  1.0
  O  O23  1  0.712  0.322  0.212  1.0
  O  O24  1  0.490  0.048  0.438  1.0
  O  O25  1  0.010  0.952  0.938  1.0
  O  O26  1  0.990  0.452  0.562  1.0
  O  O27  1  0.510  0.548  0.062  1.0
  O  O28  1  0.344  0.784  0.590  1.0
  O  O29  1  0.156  0.216  0.090  1.0
  O  O30  1  0.844  0.716  0.410  1.0
  O  O31  1  0.656  0.284  0.910  1.0
  O  O32  1  0.144  0.045  0.479  1.0
  O  O33  1  0.356  0.955  0.979  1.0
  O  O34  1  0.644  0.455  0.521  1.0
  O  O35  1  0.856  0.545  0.021  1.0
  O  O36  1  0.239  0.452  0.330  1.0
  O  O37  1  0.261  0.548  0.830  1.0
  O  O38  1  0.739  0.048  0.670  1.0
  O  O39  1  0.761  0.952  0.170  1.0
[/CIF]
.
The material described by H4SO5 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(5) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the third O site, O(1) is bonded in a trigonal planar geometry to one H(1), one H(2), and one S(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one H(3) and one S(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one H(4) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H4SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.969
_cell_length_b   6.912
_cell_length_c   7.861
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.668
_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
  H  H0  1  0.149  0.101  0.596  1.0
  H  H1  1  0.351  0.899  0.096  1.0
  H  H2  1  0.649  0.399  0.404  1.0
  H  H3  1  0.851  0.601  0.904  1.0
  H  H4  1  0.263  0.591  0.299  1.0
  H  H5  1  0.237  0.409  0.799  1.0
  H  H6  1  0.763  0.909  0.701  1.0
  H  H7  1  0.737  0.091  0.201  1.0
  H  H8  1  0.132  0.446  0.419  1.0
  H  H9  1  0.368  0.554  0.919  1.0
  H  H10  1  0.632  0.054  0.581  1.0
  H  H11  1  0.868  0.946  0.081  1.0
  H  H12  1  0.213  0.367  0.230  1.0
  H  H13  1  0.287  0.633  0.730  1.0
  H  H14  1  0.713  0.133  0.770  1.0
  H  H15  1  0.787  0.867  0.270  1.0
  S  S16  1  0.326  0.918  0.450  1.0
  S  S17  1  0.174  0.082  0.950  1.0
  S  S18  1  0.826  0.582  0.550  1.0
  S  S19  1  0.674  0.418  0.050  1.0
  O  O20  1  0.288  0.822  0.288  1.0
  O  O21  1  0.212  0.178  0.788  1.0
  O  O22  1  0.788  0.678  0.712  1.0
  O  O23  1  0.712  0.322  0.212  1.0
  O  O24  1  0.490  0.048  0.438  1.0
  O  O25  1  0.010  0.952  0.938  1.0
  O  O26  1  0.990  0.452  0.562  1.0
  O  O27  1  0.510  0.548  0.062  1.0
  O  O28  1  0.344  0.784  0.590  1.0
  O  O29  1  0.156  0.216  0.090  1.0
  O  O30  1  0.844  0.716  0.410  1.0
  O  O31  1  0.656  0.284  0.910  1.0
  O  O32  1  0.144  0.045  0.479  1.0
  O  O33  1  0.356  0.955  0.979  1.0
  O  O34  1  0.644  0.455  0.521  1.0
  O  O35  1  0.856  0.545  0.021  1.0
  O  O36  1  0.239  0.452  0.330  1.0
  O  O37  1  0.261  0.548  0.830  1.0
  O  O38  1  0.739  0.048  0.670  1.0
  O  O39  1  0.761  0.952  0.170  1.0
[/CIF]
.