The material described by HgSO3SO4 crystallizes in the monoclinic P2_1/c space group. Hg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form HgO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the second O site, O(7) is bonded in a 2-coordinate geometry to one Hg(1) and one S(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_HgS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.990
_cell_length_b   5.210
_cell_length_c   9.580
_cell_angle_alpha   59.477
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.476
_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  0.657  0.146  0.171  1.0
  Hg  Hg1  1  0.843  0.146  0.671  1.0
  Hg  Hg2  1  0.343  0.854  0.829  1.0
  Hg  Hg3  1  0.157  0.854  0.329  1.0
  S  S4  1  0.479  0.640  0.192  1.0
  S  S5  1  0.021  0.640  0.692  1.0
  S  S6  1  0.521  0.360  0.808  1.0
  S  S7  1  0.979  0.360  0.308  1.0
  S  S8  1  0.823  0.742  0.091  1.0
  S  S9  1  0.677  0.742  0.591  1.0
  S  S10  1  0.177  0.258  0.909  1.0
  S  S11  1  0.323  0.258  0.409  1.0
  O  O12  1  0.441  0.318  0.341  1.0
  O  O13  1  0.059  0.318  0.841  1.0
  O  O14  1  0.559  0.682  0.659  1.0
  O  O15  1  0.941  0.682  0.159  1.0
  O  O16  1  0.834  0.025  0.943  1.0
  O  O17  1  0.666  0.025  0.443  1.0
  O  O18  1  0.166  0.975  0.057  1.0
  O  O19  1  0.334  0.975  0.557  1.0
  O  O20  1  0.764  0.760  0.214  1.0
  O  O21  1  0.736  0.760  0.714  1.0
  O  O22  1  0.236  0.240  0.786  1.0
  O  O23  1  0.264  0.240  0.286  1.0
  O  O24  1  0.390  0.773  0.088  1.0
  O  O25  1  0.110  0.773  0.588  1.0
  O  O26  1  0.610  0.227  0.912  1.0
  O  O27  1  0.890  0.227  0.412  1.0
  O  O28  1  0.560  0.558  0.119  1.0
  O  O29  1  0.940  0.558  0.619  1.0
  O  O30  1  0.440  0.442  0.881  1.0
  O  O31  1  0.060  0.442  0.381  1.0
  O  O32  1  0.513  0.803  0.269  1.0
  O  O33  1  0.987  0.803  0.769  1.0
  O  O34  1  0.487  0.197  0.731  1.0
  O  O35  1  0.013  0.197  0.231  1.0
  O  O36  1  0.797  0.492  0.072  1.0
  O  O37  1  0.703  0.492  0.572  1.0
  O  O38  1  0.203  0.508  0.928  1.0
  O  O39  1  0.297  0.508  0.428  1.0
[/CIF]
.
The material described by HgSO3SO4 crystallizes in the monoclinic P2_1/c space group. Hg(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form HgO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra and corners with three equivalent S(2)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form SO4 tetrahedra that share corners with three equivalent Hg(1)O6 octahedra and  a cornercorner with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the second O site, O(7) is bonded in a 2-coordinate geometry to one Hg(1) and one S(2) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the seventh O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Hg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_HgS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.990
_cell_length_b   5.210
_cell_length_c   9.580
_cell_angle_alpha   59.477
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   558.476
_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  0.657  0.146  0.171  1.0
  Hg  Hg1  1  0.843  0.146  0.671  1.0
  Hg  Hg2  1  0.343  0.854  0.829  1.0
  Hg  Hg3  1  0.157  0.854  0.329  1.0
  S  S4  1  0.479  0.640  0.192  1.0
  S  S5  1  0.021  0.640  0.692  1.0
  S  S6  1  0.521  0.360  0.808  1.0
  S  S7  1  0.979  0.360  0.308  1.0
  S  S8  1  0.823  0.742  0.091  1.0
  S  S9  1  0.677  0.742  0.591  1.0
  S  S10  1  0.177  0.258  0.909  1.0
  S  S11  1  0.323  0.258  0.409  1.0
  O  O12  1  0.441  0.318  0.341  1.0
  O  O13  1  0.059  0.318  0.841  1.0
  O  O14  1  0.559  0.682  0.659  1.0
  O  O15  1  0.941  0.682  0.159  1.0
  O  O16  1  0.834  0.025  0.943  1.0
  O  O17  1  0.666  0.025  0.443  1.0
  O  O18  1  0.166  0.975  0.057  1.0
  O  O19  1  0.334  0.975  0.557  1.0
  O  O20  1  0.764  0.760  0.214  1.0
  O  O21  1  0.736  0.760  0.714  1.0
  O  O22  1  0.236  0.240  0.786  1.0
  O  O23  1  0.264  0.240  0.286  1.0
  O  O24  1  0.390  0.773  0.088  1.0
  O  O25  1  0.110  0.773  0.588  1.0
  O  O26  1  0.610  0.227  0.912  1.0
  O  O27  1  0.890  0.227  0.412  1.0
  O  O28  1  0.560  0.558  0.119  1.0
  O  O29  1  0.940  0.558  0.619  1.0
  O  O30  1  0.440  0.442  0.881  1.0
  O  O31  1  0.060  0.442  0.381  1.0
  O  O32  1  0.513  0.803  0.269  1.0
  O  O33  1  0.987  0.803  0.769  1.0
  O  O34  1  0.487  0.197  0.731  1.0
  O  O35  1  0.013  0.197  0.231  1.0
  O  O36  1  0.797  0.492  0.072  1.0
  O  O37  1  0.703  0.492  0.572  1.0
  O  O38  1  0.203  0.508  0.928  1.0
  O  O39  1  0.297  0.508  0.428  1.0
[/CIF]
.