The material structure described by Na2HgS2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted edge-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form distorted edge-sharing NaO6 octahedra. Hg(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one O(1), one O(2), and one O(5) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one O(3), one O(4), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one S(2) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one S(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(2) atom. In the fourth O site, O(7) is bonded in a trigonal non-coplanar geometry to one Na(1), one Na(2), and one Hg(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one S(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2HgS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.876
_cell_length_b   8.715
_cell_length_c   9.684
_cell_angle_alpha   67.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.093
_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
  Na  Na0  1  0.761  0.185  0.369  1.0
  Na  Na1  1  0.739  0.185  0.869  1.0
  Na  Na2  1  0.239  0.815  0.631  1.0
  Na  Na3  1  0.261  0.815  0.131  1.0
  Na  Na4  1  0.512  0.487  0.190  1.0
  Na  Na5  1  0.988  0.487  0.690  1.0
  Na  Na6  1  0.488  0.513  0.810  1.0
  Na  Na7  1  0.012  0.513  0.310  1.0
  Hg  Hg8  1  0.580  0.787  0.369  1.0
  Hg  Hg9  1  0.920  0.787  0.869  1.0
  Hg  Hg10  1  0.420  0.213  0.631  1.0
  Hg  Hg11  1  0.080  0.213  0.131  1.0
  S  S12  1  0.696  0.508  0.499  1.0
  S  S13  1  0.804  0.508  0.999  1.0
  S  S14  1  0.304  0.492  0.501  1.0
  S  S15  1  0.196  0.492  0.001  1.0
  S  S16  1  0.928  0.948  0.202  1.0
  S  S17  1  0.572  0.948  0.702  1.0
  S  S18  1  0.072  0.052  0.798  1.0
  S  S19  1  0.428  0.052  0.298  1.0
  O  O20  1  0.640  0.400  0.423  1.0
  O  O21  1  0.860  0.400  0.923  1.0
  O  O22  1  0.360  0.600  0.577  1.0
  O  O23  1  0.140  0.600  0.077  1.0
  O  O24  1  0.844  0.442  0.161  1.0
  O  O25  1  0.656  0.442  0.661  1.0
  O  O26  1  0.156  0.558  0.839  1.0
  O  O27  1  0.344  0.558  0.339  1.0
  O  O28  1  0.854  0.970  0.062  1.0
  O  O29  1  0.646  0.970  0.562  1.0
  O  O30  1  0.146  0.030  0.938  1.0
  O  O31  1  0.354  0.030  0.438  1.0
  O  O32  1  0.834  0.943  0.323  1.0
  O  O33  1  0.666  0.943  0.823  1.0
  O  O34  1  0.166  0.057  0.677  1.0
  O  O35  1  0.334  0.057  0.177  1.0
  O  O36  1  0.845  0.522  0.483  1.0
  O  O37  1  0.655  0.522  0.983  1.0
  O  O38  1  0.155  0.478  0.517  1.0
  O  O39  1  0.345  0.478  0.017  1.0
  O  O40  1  0.528  0.187  0.256  1.0
  O  O41  1  0.972  0.187  0.756  1.0
  O  O42  1  0.472  0.813  0.744  1.0
  O  O43  1  0.028  0.813  0.244  1.0
  O  O44  1  0.505  0.770  0.156  1.0
  O  O45  1  0.995  0.770  0.656  1.0
  O  O46  1  0.495  0.230  0.844  1.0
  O  O47  1  0.005  0.230  0.344  1.0
[/CIF]
.
The material structure described by Na2HgS2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted edge-sharing NaO6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form distorted edge-sharing NaO6 octahedra. Hg(1) is bonded in a 3-coordinate geometry to one S(1), one S(2), and one O(7) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one O(1), one O(2), and one O(5) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one O(3), one O(4), and one O(6) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one S(2) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one S(1) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(2) atom. In the fourth O site, O(7) is bonded in a trigonal non-coplanar geometry to one Na(1), one Na(2), and one Hg(1) atom. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one S(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one S(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2HgS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.876
_cell_length_b   8.715
_cell_length_c   9.684
_cell_angle_alpha   67.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   772.093
_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
  Na  Na0  1  0.761  0.185  0.369  1.0
  Na  Na1  1  0.739  0.185  0.869  1.0
  Na  Na2  1  0.239  0.815  0.631  1.0
  Na  Na3  1  0.261  0.815  0.131  1.0
  Na  Na4  1  0.512  0.487  0.190  1.0
  Na  Na5  1  0.988  0.487  0.690  1.0
  Na  Na6  1  0.488  0.513  0.810  1.0
  Na  Na7  1  0.012  0.513  0.310  1.0
  Hg  Hg8  1  0.580  0.787  0.369  1.0
  Hg  Hg9  1  0.920  0.787  0.869  1.0
  Hg  Hg10  1  0.420  0.213  0.631  1.0
  Hg  Hg11  1  0.080  0.213  0.131  1.0
  S  S12  1  0.696  0.508  0.499  1.0
  S  S13  1  0.804  0.508  0.999  1.0
  S  S14  1  0.304  0.492  0.501  1.0
  S  S15  1  0.196  0.492  0.001  1.0
  S  S16  1  0.928  0.948  0.202  1.0
  S  S17  1  0.572  0.948  0.702  1.0
  S  S18  1  0.072  0.052  0.798  1.0
  S  S19  1  0.428  0.052  0.298  1.0
  O  O20  1  0.640  0.400  0.423  1.0
  O  O21  1  0.860  0.400  0.923  1.0
  O  O22  1  0.360  0.600  0.577  1.0
  O  O23  1  0.140  0.600  0.077  1.0
  O  O24  1  0.844  0.442  0.161  1.0
  O  O25  1  0.656  0.442  0.661  1.0
  O  O26  1  0.156  0.558  0.839  1.0
  O  O27  1  0.344  0.558  0.339  1.0
  O  O28  1  0.854  0.970  0.062  1.0
  O  O29  1  0.646  0.970  0.562  1.0
  O  O30  1  0.146  0.030  0.938  1.0
  O  O31  1  0.354  0.030  0.438  1.0
  O  O32  1  0.834  0.943  0.323  1.0
  O  O33  1  0.666  0.943  0.823  1.0
  O  O34  1  0.166  0.057  0.677  1.0
  O  O35  1  0.334  0.057  0.177  1.0
  O  O36  1  0.845  0.522  0.483  1.0
  O  O37  1  0.655  0.522  0.983  1.0
  O  O38  1  0.155  0.478  0.517  1.0
  O  O39  1  0.345  0.478  0.017  1.0
  O  O40  1  0.528  0.187  0.256  1.0
  O  O41  1  0.972  0.187  0.756  1.0
  O  O42  1  0.472  0.813  0.744  1.0
  O  O43  1  0.028  0.813  0.244  1.0
  O  O44  1  0.505  0.770  0.156  1.0
  O  O45  1  0.995  0.770  0.656  1.0
  O  O46  1  0.495  0.230  0.844  1.0
  O  O47  1  0.005  0.230  0.344  1.0
[/CIF]
.