The material described by Hg2SO4 crystallizes in the monoclinic P2/c space group. Hg(1) is bonded in a 4-coordinate geometry to one Hg(1), one O(2), and two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Hg(1) and one S(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Hg2SO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   6.348
_cell_length_c   8.391
_cell_angle_alpha   92.411
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.175
_cell_formula_units_Z   2
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  0.061  0.808  0.525  1.0
  Hg  Hg1  1  0.061  0.192  0.975  1.0
  Hg  Hg2  1  0.939  0.192  0.475  1.0
  Hg  Hg3  1  0.939  0.808  0.025  1.0
  S  S4  1  0.437  0.500  0.750  1.0
  S  S5  1  0.563  0.500  0.250  1.0
  O  O6  1  0.766  0.496  0.394  1.0
  O  O7  1  0.766  0.504  0.106  1.0
  O  O8  1  0.234  0.504  0.606  1.0
  O  O9  1  0.234  0.496  0.894  1.0
  O  O10  1  0.388  0.306  0.239  1.0
  O  O11  1  0.388  0.694  0.261  1.0
  O  O12  1  0.612  0.306  0.739  1.0
  O  O13  1  0.612  0.694  0.761  1.0
[/CIF]
.
The material described by Hg2SO4 crystallizes in the monoclinic P2/c space group. Hg(1) is bonded in a 4-coordinate geometry to one Hg(1), one O(2), and two equivalent O(1) atoms. S(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Hg(1) and one S(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Hg2SO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.438
_cell_length_b   6.348
_cell_length_c   8.391
_cell_angle_alpha   92.411
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   236.175
_cell_formula_units_Z   2
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  0.061  0.808  0.525  1.0
  Hg  Hg1  1  0.061  0.192  0.975  1.0
  Hg  Hg2  1  0.939  0.192  0.475  1.0
  Hg  Hg3  1  0.939  0.808  0.025  1.0
  S  S4  1  0.437  0.500  0.750  1.0
  S  S5  1  0.563  0.500  0.250  1.0
  O  O6  1  0.766  0.496  0.394  1.0
  O  O7  1  0.766  0.504  0.106  1.0
  O  O8  1  0.234  0.504  0.606  1.0
  O  O9  1  0.234  0.496  0.894  1.0
  O  O10  1  0.388  0.306  0.239  1.0
  O  O11  1  0.388  0.694  0.261  1.0
  O  O12  1  0.612  0.306  0.739  1.0
  O  O13  1  0.612  0.694  0.761  1.0
[/CIF]
.