The compound described by H4SO5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(13) and one O(8) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(17) and one O(4) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(11) and one O(17) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(14) and one O(17) atom. In the eighth H site, H(8) is bonded in a linear geometry to one O(12) and one O(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(18) atom. In the tenth H site, H(10) is bonded in a distorted linear geometry to one O(18) and one O(7) atom. In the eleventh H site, H(11) is bonded in a distorted single-bond geometry to one O(16) and one O(19) atom. In the twelfth H site, H(12) is bonded in a linear geometry to one O(19) and one O(2) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(19) atom. In the fourteenth H site, H(14) is bonded in a bent 150 degrees geometry to one O(10) and one O(20) atom. In the fifteenth H site, H(15) is bonded in a distorted linear geometry to one O(15) and one O(20) atom. In the sixteenth H site, H(16) is bonded in a linear geometry to one O(20) and one O(5) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(5), and one O(9) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(2), and one O(6) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(3), and one O(7) atom. In the fourth S site, S(4) is bonded in a tetrahedral geometry to one O(12), one O(16), one O(4), and one O(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(12) and one S(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(5) and one S(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one H(16), one H(3), and one S(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one H(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one H(10), one H(3), and one S(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one S(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one H(14) and one S(2) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one H(6) and one S(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one H(8) and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one H(4) and one S(1) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one H(7) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one H(15), one H(2), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one H(11) and one S(4) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. In the eighteenth O site, O(18) is bonded in a trigonal non-coplanar geometry to one H(10), one H(8), and one H(9) atom. In the nineteenth O site, O(19) is bonded in a trigonal non-coplanar geometry to one H(11), one H(12), and one H(13) atom. In the twentieth O site, O(20) is bonded in a trigonal non-coplanar geometry to one H(14), one H(15), and one H(16) atom. is represented by the CIF file [CIF]
data_H4SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.044
_cell_length_c   8.204
_cell_angle_alpha   86.605
_cell_angle_beta   81.291
_cell_angle_gamma   85.202
_symmetry_Int_Tables_number   1
_cell_volume   399.854
_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  0.093  0.131  0.564  1.0
  H  H1  1  0.590  0.676  0.905  1.0
  H  H2  1  0.522  0.940  0.504  1.0
  H  H3  1  0.406  0.312  0.090  1.0
  H  H4  1  0.913  0.310  0.086  1.0
  H  H5  1  0.792  0.384  0.275  1.0
  H  H6  1  0.760  0.166  0.207  1.0
  H  H7  1  0.248  0.890  0.227  1.0
  H  H8  1  0.338  0.665  0.229  1.0
  H  H9  1  0.368  0.783  0.382  1.0
  H  H10  1  0.239  0.831  0.797  1.0
  H  H11  1  0.077  0.691  0.915  1.0
  H  H12  1  0.207  0.614  0.731  1.0
  H  H13  1  0.727  0.131  0.787  1.0
  H  H14  1  0.699  0.368  0.716  1.0
  H  H15  1  0.625  0.200  0.614  1.0
  S  S16  1  0.323  0.302  0.449  1.0
  S  S17  1  0.761  0.839  0.033  1.0
  S  S18  1  0.709  0.680  0.550  1.0
  S  S19  1  0.226  0.160  0.963  1.0
  O  O20  1  0.153  0.164  0.451  1.0
  O  O21  1  0.921  0.690  0.044  1.0
  O  O22  1  0.845  0.822  0.544  1.0
  O  O23  1  0.069  0.312  0.950  1.0
  O  O24  1  0.495  0.174  0.480  1.0
  O  O25  1  0.574  0.731  0.018  1.0
  O  O26  1  0.503  0.799  0.521  1.0
  O  O27  1  0.415  0.262  0.975  1.0
  O  O28  1  0.266  0.440  0.575  1.0
  O  O29  1  0.804  0.960  0.883  1.0
  O  O30  1  0.743  0.538  0.424  1.0
  O  O31  1  0.179  0.040  0.114  1.0
  O  O32  1  0.347  0.384  0.280  1.0
  O  O33  1  0.704  0.941  0.184  1.0
  O  O34  1  0.657  0.584  0.717  1.0
  O  O35  1  0.276  0.056  0.811  1.0
  O  O36  1  0.792  0.302  0.179  1.0
  O  O37  1  0.276  0.768  0.300  1.0
  O  O38  1  0.206  0.695  0.826  1.0
  O  O39  1  0.724  0.227  0.688  1.0
[/CIF]
.
The compound described by H4SO5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(5) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(13) and one O(8) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(17) and one O(4) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(11) and one O(17) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(14) and one O(17) atom. In the eighth H site, H(8) is bonded in a linear geometry to one O(12) and one O(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(18) atom. In the tenth H site, H(10) is bonded in a distorted linear geometry to one O(18) and one O(7) atom. In the eleventh H site, H(11) is bonded in a distorted single-bond geometry to one O(16) and one O(19) atom. In the twelfth H site, H(12) is bonded in a linear geometry to one O(19) and one O(2) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(19) atom. In the fourteenth H site, H(14) is bonded in a bent 150 degrees geometry to one O(10) and one O(20) atom. In the fifteenth H site, H(15) is bonded in a distorted linear geometry to one O(15) and one O(20) atom. In the sixteenth H site, H(16) is bonded in a linear geometry to one O(20) and one O(5) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(5), and one O(9) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(2), and one O(6) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(3), and one O(7) atom. In the fourth S site, S(4) is bonded in a tetrahedral geometry to one O(12), one O(16), one O(4), and one O(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one H(12) and one S(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(5) and one S(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one H(16), one H(3), and one S(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one H(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one H(10), one H(3), and one S(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one S(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one H(14) and one S(2) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one H(6) and one S(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one H(8) and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one H(4) and one S(1) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one H(7) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one H(15), one H(2), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one H(11) and one S(4) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one H(5), one H(6), and one H(7) atom. In the eighteenth O site, O(18) is bonded in a trigonal non-coplanar geometry to one H(10), one H(8), and one H(9) atom. In the nineteenth O site, O(19) is bonded in a trigonal non-coplanar geometry to one H(11), one H(12), and one H(13) atom. In the twentieth O site, O(20) is bonded in a trigonal non-coplanar geometry to one H(14), one H(15), and one H(16) atom. is represented by the CIF file [CIF]
data_H4SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.044
_cell_length_c   8.204
_cell_angle_alpha   86.605
_cell_angle_beta   81.291
_cell_angle_gamma   85.202
_symmetry_Int_Tables_number   1
_cell_volume   399.854
_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  0.093  0.131  0.564  1.0
  H  H1  1  0.590  0.676  0.905  1.0
  H  H2  1  0.522  0.940  0.504  1.0
  H  H3  1  0.406  0.312  0.090  1.0
  H  H4  1  0.913  0.310  0.086  1.0
  H  H5  1  0.792  0.384  0.275  1.0
  H  H6  1  0.760  0.166  0.207  1.0
  H  H7  1  0.248  0.890  0.227  1.0
  H  H8  1  0.338  0.665  0.229  1.0
  H  H9  1  0.368  0.783  0.382  1.0
  H  H10  1  0.239  0.831  0.797  1.0
  H  H11  1  0.077  0.691  0.915  1.0
  H  H12  1  0.207  0.614  0.731  1.0
  H  H13  1  0.727  0.131  0.787  1.0
  H  H14  1  0.699  0.368  0.716  1.0
  H  H15  1  0.625  0.200  0.614  1.0
  S  S16  1  0.323  0.302  0.449  1.0
  S  S17  1  0.761  0.839  0.033  1.0
  S  S18  1  0.709  0.680  0.550  1.0
  S  S19  1  0.226  0.160  0.963  1.0
  O  O20  1  0.153  0.164  0.451  1.0
  O  O21  1  0.921  0.690  0.044  1.0
  O  O22  1  0.845  0.822  0.544  1.0
  O  O23  1  0.069  0.312  0.950  1.0
  O  O24  1  0.495  0.174  0.480  1.0
  O  O25  1  0.574  0.731  0.018  1.0
  O  O26  1  0.503  0.799  0.521  1.0
  O  O27  1  0.415  0.262  0.975  1.0
  O  O28  1  0.266  0.440  0.575  1.0
  O  O29  1  0.804  0.960  0.883  1.0
  O  O30  1  0.743  0.538  0.424  1.0
  O  O31  1  0.179  0.040  0.114  1.0
  O  O32  1  0.347  0.384  0.280  1.0
  O  O33  1  0.704  0.941  0.184  1.0
  O  O34  1  0.657  0.584  0.717  1.0
  O  O35  1  0.276  0.056  0.811  1.0
  O  O36  1  0.792  0.302  0.179  1.0
  O  O37  1  0.276  0.768  0.300  1.0
  O  O38  1  0.206  0.695  0.826  1.0
  O  O39  1  0.724  0.227  0.688  1.0
[/CIF]
.