The structure described by Hg3O2(SO4) crystallizes in the trigonal P3_1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(3) and one O(5) atom. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(3) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Hg(3) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and two equivalent Hg(3) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_Hg3SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.097
_cell_length_b   7.097
_cell_length_c   10.115
_cell_angle_alpha   89.997
_cell_angle_beta   90.002
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   441.268
_cell_formula_units_Z   3
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  0.505  0.190  0.677  1.0
  Hg  Hg1  1  0.685  0.495  0.344  1.0
  Hg  Hg2  1  0.810  0.315  0.011  1.0
  Hg  Hg3  1  0.296  0.298  0.995  1.0
  Hg  Hg4  1  0.002  0.704  0.662  1.0
  Hg  Hg5  1  0.702  0.998  0.328  1.0
  Hg  Hg6  1  0.499  0.688  0.646  1.0
  Hg  Hg7  1  0.189  0.501  0.312  1.0
  Hg  Hg8  1  0.312  0.811  0.979  1.0
  S  S9  1  0.779  0.771  0.992  1.0
  S  S10  1  0.993  0.221  0.659  1.0
  S  S11  1  0.229  0.007  0.326  1.0
  O  O12  1  0.138  0.392  0.564  1.0
  O  O13  1  0.254  0.862  0.230  1.0
  O  O14  1  0.608  0.746  0.897  1.0
  O  O15  1  0.797  0.059  0.586  1.0
  O  O16  1  0.262  0.203  0.253  1.0
  O  O17  1  0.941  0.738  0.919  1.0
  O  O18  1  0.330  0.850  0.712  1.0
  O  O19  1  0.520  0.670  0.379  1.0
  O  O20  1  0.150  0.480  0.045  1.0
  O  O21  1  0.925  0.324  0.762  1.0
  O  O22  1  0.399  0.075  0.429  1.0
  O  O23  1  0.676  0.601  0.096  1.0
  O  O24  1  0.483  0.155  0.945  1.0
  O  O25  1  0.845  0.327  0.279  1.0
  O  O26  1  0.673  0.517  0.612  1.0
  O  O27  1  0.881  0.988  0.055  1.0
  O  O28  1  0.012  0.893  0.388  1.0
  O  O29  1  0.107  0.119  0.721  1.0
[/CIF]
.
The structure described by Hg3O2(SO4) crystallizes in the trigonal P3_1 space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one O(3) and one O(5) atom. In the second Hg site, Hg(2) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(3) and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Hg(3) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and two equivalent Hg(3) atoms. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF card [CIF]
data_Hg3SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.097
_cell_length_b   7.097
_cell_length_c   10.115
_cell_angle_alpha   89.997
_cell_angle_beta   90.002
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   441.268
_cell_formula_units_Z   3
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  0.505  0.190  0.677  1.0
  Hg  Hg1  1  0.685  0.495  0.344  1.0
  Hg  Hg2  1  0.810  0.315  0.011  1.0
  Hg  Hg3  1  0.296  0.298  0.995  1.0
  Hg  Hg4  1  0.002  0.704  0.662  1.0
  Hg  Hg5  1  0.702  0.998  0.328  1.0
  Hg  Hg6  1  0.499  0.688  0.646  1.0
  Hg  Hg7  1  0.189  0.501  0.312  1.0
  Hg  Hg8  1  0.312  0.811  0.979  1.0
  S  S9  1  0.779  0.771  0.992  1.0
  S  S10  1  0.993  0.221  0.659  1.0
  S  S11  1  0.229  0.007  0.326  1.0
  O  O12  1  0.138  0.392  0.564  1.0
  O  O13  1  0.254  0.862  0.230  1.0
  O  O14  1  0.608  0.746  0.897  1.0
  O  O15  1  0.797  0.059  0.586  1.0
  O  O16  1  0.262  0.203  0.253  1.0
  O  O17  1  0.941  0.738  0.919  1.0
  O  O18  1  0.330  0.850  0.712  1.0
  O  O19  1  0.520  0.670  0.379  1.0
  O  O20  1  0.150  0.480  0.045  1.0
  O  O21  1  0.925  0.324  0.762  1.0
  O  O22  1  0.399  0.075  0.429  1.0
  O  O23  1  0.676  0.601  0.096  1.0
  O  O24  1  0.483  0.155  0.945  1.0
  O  O25  1  0.845  0.327  0.279  1.0
  O  O26  1  0.673  0.517  0.612  1.0
  O  O27  1  0.881  0.988  0.055  1.0
  O  O28  1  0.012  0.893  0.388  1.0
  O  O29  1  0.107  0.119  0.721  1.0
[/CIF]
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