The material structure described by HgH2SO5 crystallizes in the orthorhombic Pna2_1 space group. Hg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted HgO6 octahedra that share corners with five equivalent S(1)O4 tetrahedra and edges with two equivalent Hg(1)O6 octahedra. 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(4) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SO4 tetrahedra that share corners with five equivalent Hg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted water-like geometry to one Hg(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_HgH2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   8.053
_cell_length_c   9.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   408.537
_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
  Hg  Hg0  1  0.751  0.367  0.707  1.0
  Hg  Hg1  1  0.751  0.867  0.793  1.0
  Hg  Hg2  1  0.251  0.633  0.293  1.0
  Hg  Hg3  1  0.251  0.133  0.207  1.0
  H  H4  1  0.752  0.300  0.006  1.0
  H  H5  1  0.752  0.800  0.494  1.0
  H  H6  1  0.252  0.700  0.994  1.0
  H  H7  1  0.252  0.200  0.506  1.0
  H  H8  1  0.887  0.471  0.987  1.0
  H  H9  1  0.387  0.529  0.013  1.0
  H  H10  1  0.387  0.029  0.487  1.0
  H  H11  1  0.887  0.971  0.513  1.0
  S  S12  1  0.750  0.407  0.359  1.0
  S  S13  1  0.750  0.907  0.141  1.0
  S  S14  1  0.250  0.593  0.641  1.0
  S  S15  1  0.250  0.093  0.859  1.0
  O  O16  1  0.529  0.381  0.267  1.0
  O  O17  1  0.970  0.881  0.234  1.0
  O  O18  1  0.029  0.619  0.733  1.0
  O  O19  1  0.470  0.119  0.766  1.0
  O  O20  1  0.470  0.619  0.734  1.0
  O  O21  1  0.029  0.119  0.767  1.0
  O  O22  1  0.970  0.381  0.266  1.0
  O  O23  1  0.529  0.881  0.233  1.0
  O  O24  1  0.750  0.278  0.480  1.0
  O  O25  1  0.750  0.778  0.020  1.0
  O  O26  1  0.250  0.722  0.520  1.0
  O  O27  1  0.250  0.222  0.980  1.0
  O  O28  1  0.744  0.408  0.954  1.0
  O  O29  1  0.744  0.908  0.546  1.0
  O  O30  1  0.244  0.592  0.046  1.0
  O  O31  1  0.244  0.092  0.454  1.0
  O  O32  1  0.750  0.575  0.420  1.0
  O  O33  1  0.750  0.075  0.080  1.0
  O  O34  1  0.250  0.425  0.580  1.0
  O  O35  1  0.250  0.925  0.920  1.0
[/CIF]
.
The material structure described by HgH2SO5 crystallizes in the orthorhombic Pna2_1 space group. Hg(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted HgO6 octahedra that share corners with five equivalent S(1)O4 tetrahedra and edges with two equivalent Hg(1)O6 octahedra. 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(4) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SO4 tetrahedra that share corners with five equivalent Hg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-71°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one S(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the fifth O site, O(4) is bonded in a distorted water-like geometry to one Hg(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_HgH2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.553
_cell_length_b   8.053
_cell_length_c   9.135
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   408.537
_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
  Hg  Hg0  1  0.751  0.367  0.707  1.0
  Hg  Hg1  1  0.751  0.867  0.793  1.0
  Hg  Hg2  1  0.251  0.633  0.293  1.0
  Hg  Hg3  1  0.251  0.133  0.207  1.0
  H  H4  1  0.752  0.300  0.006  1.0
  H  H5  1  0.752  0.800  0.494  1.0
  H  H6  1  0.252  0.700  0.994  1.0
  H  H7  1  0.252  0.200  0.506  1.0
  H  H8  1  0.887  0.471  0.987  1.0
  H  H9  1  0.387  0.529  0.013  1.0
  H  H10  1  0.387  0.029  0.487  1.0
  H  H11  1  0.887  0.971  0.513  1.0
  S  S12  1  0.750  0.407  0.359  1.0
  S  S13  1  0.750  0.907  0.141  1.0
  S  S14  1  0.250  0.593  0.641  1.0
  S  S15  1  0.250  0.093  0.859  1.0
  O  O16  1  0.529  0.381  0.267  1.0
  O  O17  1  0.970  0.881  0.234  1.0
  O  O18  1  0.029  0.619  0.733  1.0
  O  O19  1  0.470  0.119  0.766  1.0
  O  O20  1  0.470  0.619  0.734  1.0
  O  O21  1  0.029  0.119  0.767  1.0
  O  O22  1  0.970  0.381  0.266  1.0
  O  O23  1  0.529  0.881  0.233  1.0
  O  O24  1  0.750  0.278  0.480  1.0
  O  O25  1  0.750  0.778  0.020  1.0
  O  O26  1  0.250  0.722  0.520  1.0
  O  O27  1  0.250  0.222  0.980  1.0
  O  O28  1  0.744  0.408  0.954  1.0
  O  O29  1  0.744  0.908  0.546  1.0
  O  O30  1  0.244  0.592  0.046  1.0
  O  O31  1  0.244  0.092  0.454  1.0
  O  O32  1  0.750  0.575  0.420  1.0
  O  O33  1  0.750  0.075  0.080  1.0
  O  O34  1  0.250  0.425  0.580  1.0
  O  O35  1  0.250  0.925  0.920  1.0
[/CIF]
.