The material described by Hg3O2(SO4) crystallizes in the trigonal P3_121 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Hg(2) and three equivalent Hg(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.110
_cell_length_b   7.110
_cell_length_c   10.133
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   443.576
_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  0.506  0.194  0.683  1.0
  Hg  Hg1  1  0.494  0.689  0.650  1.0
  Hg  Hg2  1  0.311  0.806  0.984  1.0
  Hg  Hg3  1  0.709  0.000  0.333  1.0
  Hg  Hg4  1  0.689  0.494  0.350  1.0
  Hg  Hg5  1  0.806  0.311  0.016  1.0
  Hg  Hg6  1  0.291  0.291  1.000  1.0
  Hg  Hg7  1  1.000  0.709  0.667  1.0
  Hg  Hg8  1  0.194  0.506  0.317  1.0
  S  S9  1  0.000  0.232  0.667  1.0
  S  S10  1  0.768  0.768  1.000  1.0
  S  S11  1  0.232  0.000  0.333  1.0
  O  O12  1  0.114  0.412  0.570  1.0
  O  O13  1  0.147  0.475  0.048  1.0
  O  O14  1  0.702  0.588  0.097  1.0
  O  O15  1  0.159  0.194  0.738  1.0
  O  O16  1  0.298  0.886  0.237  1.0
  O  O17  1  0.853  0.328  0.285  1.0
  O  O18  1  0.525  0.672  0.381  1.0
  O  O19  1  0.672  0.525  0.619  1.0
  O  O20  1  0.036  0.842  0.405  1.0
  O  O21  1  0.806  0.964  0.072  1.0
  O  O22  1  0.588  0.702  0.903  1.0
  O  O23  1  0.964  0.806  0.928  1.0
  O  O24  1  0.841  0.036  0.595  1.0
  O  O25  1  0.328  0.853  0.715  1.0
  O  O26  1  0.475  0.147  0.952  1.0
  O  O27  1  0.412  0.114  0.430  1.0
  O  O28  1  0.194  0.159  0.262  1.0
  O  O29  1  0.886  0.298  0.763  1.0
[/CIF]
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The material described by Hg3O2(SO4) crystallizes in the trigonal P3_121 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(2) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Hg(2) and three equivalent Hg(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3SO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.110
_cell_length_b   7.110
_cell_length_c   10.133
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   443.576
_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  0.506  0.194  0.683  1.0
  Hg  Hg1  1  0.494  0.689  0.650  1.0
  Hg  Hg2  1  0.311  0.806  0.984  1.0
  Hg  Hg3  1  0.709  0.000  0.333  1.0
  Hg  Hg4  1  0.689  0.494  0.350  1.0
  Hg  Hg5  1  0.806  0.311  0.016  1.0
  Hg  Hg6  1  0.291  0.291  1.000  1.0
  Hg  Hg7  1  1.000  0.709  0.667  1.0
  Hg  Hg8  1  0.194  0.506  0.317  1.0
  S  S9  1  0.000  0.232  0.667  1.0
  S  S10  1  0.768  0.768  1.000  1.0
  S  S11  1  0.232  0.000  0.333  1.0
  O  O12  1  0.114  0.412  0.570  1.0
  O  O13  1  0.147  0.475  0.048  1.0
  O  O14  1  0.702  0.588  0.097  1.0
  O  O15  1  0.159  0.194  0.738  1.0
  O  O16  1  0.298  0.886  0.237  1.0
  O  O17  1  0.853  0.328  0.285  1.0
  O  O18  1  0.525  0.672  0.381  1.0
  O  O19  1  0.672  0.525  0.619  1.0
  O  O20  1  0.036  0.842  0.405  1.0
  O  O21  1  0.806  0.964  0.072  1.0
  O  O22  1  0.588  0.702  0.903  1.0
  O  O23  1  0.964  0.806  0.928  1.0
  O  O24  1  0.841  0.036  0.595  1.0
  O  O25  1  0.328  0.853  0.715  1.0
  O  O26  1  0.475  0.147  0.952  1.0
  O  O27  1  0.412  0.114  0.430  1.0
  O  O28  1  0.194  0.159  0.262  1.0
  O  O29  1  0.886  0.298  0.763  1.0
[/CIF]
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