The crystal structure described by Hg3S2I2 crystallizes in the orthorhombic Imma space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent I(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1), one I(2), and one I(3) atom. In the third Hg site, Hg(3) is bonded in a 4-coordinate geometry to two equivalent S(1), one I(1), and one I(3) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Hg(3) and two equivalent Hg(1) atoms. In the second I site, I(2) is bonded in an L-shaped geometry to two equivalent Hg(2) atoms. In the third I site, I(3) is bonded in a distorted tetrahedral geometry to two equivalent Hg(2) and two equivalent Hg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3(SI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.820
_cell_length_b   11.819
_cell_length_c   11.820
_cell_angle_alpha   131.749
_cell_angle_beta   130.448
_cell_angle_gamma   71.660
_symmetry_Int_Tables_number   1
_cell_volume   917.228
_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
  Hg  Hg0  1  0.648  0.148  0.000  1.0
  Hg  Hg1  1  0.853  0.852  0.500  1.0
  Hg  Hg2  1  0.352  0.852  1.000  1.0
  Hg  Hg3  1  0.147  0.148  0.500  1.0
  Hg  Hg4  1  0.484  0.750  0.733  1.0
  Hg  Hg5  1  0.016  0.750  0.266  1.0
  Hg  Hg6  1  0.984  0.250  0.734  1.0
  Hg  Hg7  1  0.516  0.250  0.267  1.0
  Hg  Hg8  1  0.115  0.153  0.038  1.0
  Hg  Hg9  1  0.385  0.422  0.038  1.0
  Hg  Hg10  1  0.885  0.847  0.962  1.0
  Hg  Hg11  1  0.615  0.578  0.962  1.0
  S  S12  1  0.633  0.876  0.757  1.0
  S  S13  1  0.867  0.624  0.243  1.0
  S  S14  1  0.881  0.124  0.757  1.0
  S  S15  1  0.619  0.376  0.244  1.0
  S  S16  1  0.367  0.124  0.243  1.0
  S  S17  1  0.133  0.376  0.757  1.0
  S  S18  1  0.119  0.876  0.243  1.0
  S  S19  1  0.381  0.624  0.756  1.0
  I  I20  1  1.000  0.258  0.258  1.0
  I  I21  1  0.500  0.758  0.258  1.0
  I  I22  1  0.000  0.742  0.742  1.0
  I  I23  1  0.500  0.242  0.742  1.0
  I  I24  1  0.750  0.015  0.265  1.0
  I  I25  1  0.250  0.985  0.735  1.0
  I  I26  1  0.750  0.492  0.742  1.0
  I  I27  1  0.250  0.508  0.258  1.0
[/CIF]
.
The crystal structure described by Hg3S2I2 crystallizes in the orthorhombic Imma space group. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent I(1) atoms. In the second Hg site, Hg(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1), one I(2), and one I(3) atom. In the third Hg site, Hg(3) is bonded in a 4-coordinate geometry to two equivalent S(1), one I(1), and one I(3) atom. S(1) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Hg(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a trigonal non-coplanar geometry to one Hg(3) and two equivalent Hg(1) atoms. In the second I site, I(2) is bonded in an L-shaped geometry to two equivalent Hg(2) atoms. In the third I site, I(3) is bonded in a distorted tetrahedral geometry to two equivalent Hg(2) and two equivalent Hg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3(SI)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.820
_cell_length_b   11.819
_cell_length_c   11.820
_cell_angle_alpha   131.749
_cell_angle_beta   130.448
_cell_angle_gamma   71.660
_symmetry_Int_Tables_number   1
_cell_volume   917.228
_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
  Hg  Hg0  1  0.648  0.148  0.000  1.0
  Hg  Hg1  1  0.853  0.852  0.500  1.0
  Hg  Hg2  1  0.352  0.852  1.000  1.0
  Hg  Hg3  1  0.147  0.148  0.500  1.0
  Hg  Hg4  1  0.484  0.750  0.733  1.0
  Hg  Hg5  1  0.016  0.750  0.266  1.0
  Hg  Hg6  1  0.984  0.250  0.734  1.0
  Hg  Hg7  1  0.516  0.250  0.267  1.0
  Hg  Hg8  1  0.115  0.153  0.038  1.0
  Hg  Hg9  1  0.385  0.422  0.038  1.0
  Hg  Hg10  1  0.885  0.847  0.962  1.0
  Hg  Hg11  1  0.615  0.578  0.962  1.0
  S  S12  1  0.633  0.876  0.757  1.0
  S  S13  1  0.867  0.624  0.243  1.0
  S  S14  1  0.881  0.124  0.757  1.0
  S  S15  1  0.619  0.376  0.244  1.0
  S  S16  1  0.367  0.124  0.243  1.0
  S  S17  1  0.133  0.376  0.757  1.0
  S  S18  1  0.119  0.876  0.243  1.0
  S  S19  1  0.381  0.624  0.756  1.0
  I  I20  1  1.000  0.258  0.258  1.0
  I  I21  1  0.500  0.758  0.258  1.0
  I  I22  1  0.000  0.742  0.742  1.0
  I  I23  1  0.500  0.242  0.742  1.0
  I  I24  1  0.750  0.015  0.265  1.0
  I  I25  1  0.250  0.985  0.735  1.0
  I  I26  1  0.750  0.492  0.742  1.0
  I  I27  1  0.250  0.508  0.258  1.0
[/CIF]
.