The structure described by Cs2HgC2SOI4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted single-bond geometry to one O(1), one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one S(1), one I(2), one I(3), two equivalent I(1), and two equivalent I(4) atoms. Hg(1) is bonded in a distorted trigonal pyramidal geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one C(2) and one S(1) atom. In the second C site, C(2) is bonded in a single-bond geometry to one C(1) atom. S(1) is bonded in a distorted single-bond geometry to one Cs(2), one C(1), and one O(1) atom. O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and one S(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded to one Cs(1), two equivalent Cs(2), and one Hg(1) atom to form distorted edge-sharing ICs3Hg tetrahedra. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(2), two equivalent Cs(1), and one Hg(1) atom. In the third I site, I(3) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one Hg(1) atom. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one Cs(1), two equivalent Cs(2), and one Hg(1) atom. is represented by the CIF file [CIF]
data_Cs2HgC2SI4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.597
_cell_length_b   9.989
_cell_length_c   11.733
_cell_angle_alpha   81.955
_cell_angle_beta   73.488
_cell_angle_gamma   76.363
_symmetry_Int_Tables_number   1
_cell_volume   935.938
_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
  Cs  Cs0  1  0.830  0.325  0.084  1.0
  Cs  Cs1  1  0.170  0.675  0.916  1.0
  Cs  Cs2  1  0.264  0.717  0.389  1.0
  Cs  Cs3  1  0.736  0.283  0.611  1.0
  Hg  Hg4  1  0.280  0.285  0.233  1.0
  Hg  Hg5  1  0.720  0.715  0.767  1.0
  C  C6  1  0.293  0.035  0.772  1.0
  C  C7  1  0.707  0.965  0.228  1.0
  C  C8  1  0.450  0.993  0.742  1.0
  C  C9  1  0.550  0.007  0.258  1.0
  S  S10  1  0.102  0.113  0.778  1.0
  S  S11  1  0.898  0.887  0.222  1.0
  I  I12  1  0.053  0.108  0.333  1.0
  I  I13  1  0.947  0.892  0.667  1.0
  I  I14  1  0.982  0.543  0.274  1.0
  I  I15  1  0.018  0.457  0.726  1.0
  I  I16  1  0.415  0.305  0.986  1.0
  I  I17  1  0.585  0.695  0.014  1.0
  I  I18  1  0.472  0.330  0.378  1.0
  I  I19  1  0.528  0.670  0.622  1.0
  O  O20  1  0.995  0.118  0.902  1.0
  O  O21  1  0.005  0.882  0.098  1.0
[/CIF]
.
The structure described by Cs2HgC2SOI4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted single-bond geometry to one O(1), one I(1), one I(4), two equivalent I(2), and two equivalent I(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one S(1), one I(2), one I(3), two equivalent I(1), and two equivalent I(4) atoms. Hg(1) is bonded in a distorted trigonal pyramidal geometry to one I(1), one I(2), one I(3), and one I(4) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one C(2) and one S(1) atom. In the second C site, C(2) is bonded in a single-bond geometry to one C(1) atom. S(1) is bonded in a distorted single-bond geometry to one Cs(2), one C(1), and one O(1) atom. O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and one S(1) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded to one Cs(1), two equivalent Cs(2), and one Hg(1) atom to form distorted edge-sharing ICs3Hg tetrahedra. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(2), two equivalent Cs(1), and one Hg(1) atom. In the third I site, I(3) is bonded in a 4-coordinate geometry to one Cs(2), two equivalent Cs(1), and one Hg(1) atom. In the fourth I site, I(4) is bonded in a distorted see-saw-like geometry to one Cs(1), two equivalent Cs(2), and one Hg(1) atom. is represented by the CIF file [CIF]
data_Cs2HgC2SI4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.597
_cell_length_b   9.989
_cell_length_c   11.733
_cell_angle_alpha   81.955
_cell_angle_beta   73.488
_cell_angle_gamma   76.363
_symmetry_Int_Tables_number   1
_cell_volume   935.938
_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
  Cs  Cs0  1  0.830  0.325  0.084  1.0
  Cs  Cs1  1  0.170  0.675  0.916  1.0
  Cs  Cs2  1  0.264  0.717  0.389  1.0
  Cs  Cs3  1  0.736  0.283  0.611  1.0
  Hg  Hg4  1  0.280  0.285  0.233  1.0
  Hg  Hg5  1  0.720  0.715  0.767  1.0
  C  C6  1  0.293  0.035  0.772  1.0
  C  C7  1  0.707  0.965  0.228  1.0
  C  C8  1  0.450  0.993  0.742  1.0
  C  C9  1  0.550  0.007  0.258  1.0
  S  S10  1  0.102  0.113  0.778  1.0
  S  S11  1  0.898  0.887  0.222  1.0
  I  I12  1  0.053  0.108  0.333  1.0
  I  I13  1  0.947  0.892  0.667  1.0
  I  I14  1  0.982  0.543  0.274  1.0
  I  I15  1  0.018  0.457  0.726  1.0
  I  I16  1  0.415  0.305  0.986  1.0
  I  I17  1  0.585  0.695  0.014  1.0
  I  I18  1  0.472  0.330  0.378  1.0
  I  I19  1  0.528  0.670  0.622  1.0
  O  O20  1  0.995  0.118  0.902  1.0
  O  O21  1  0.005  0.882  0.098  1.0
[/CIF]
.