The material described by AgHgSI crystallizes in the orthorhombic Pmma space group. Ag(1) is bonded to two equivalent S(1), one I(1), and one I(2) atom to form a mixture of distorted edge and corner-sharing AgS2I2 trigonal pyramids. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent I(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to two equivalent Ag(1), one Hg(1), and one Hg(2) atom to form corner-sharing SAg2Hg2 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Ag(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_AgHgSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.602
_cell_length_b   10.049
_cell_length_c   10.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.596
_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
  Ag  Ag0  1  0.000  0.210  0.425  1.0
  Ag  Ag1  1  0.000  0.790  0.925  1.0
  Ag  Ag2  1  0.000  0.790  0.575  1.0
  Ag  Ag3  1  0.000  0.210  0.075  1.0
  Hg  Hg4  1  0.500  0.240  0.750  1.0
  Hg  Hg5  1  0.500  0.500  0.000  1.0
  Hg  Hg6  1  0.500  0.760  0.250  1.0
  Hg  Hg7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.500  0.262  0.517  1.0
  S  S9  1  0.500  0.738  0.483  1.0
  S  S10  1  0.500  0.262  0.983  1.0
  S  S11  1  0.500  0.738  0.017  1.0
  I  I12  1  0.000  0.539  0.750  1.0
  I  I13  1  0.000  0.994  0.250  1.0
  I  I14  1  0.000  0.461  0.250  1.0
  I  I15  1  0.000  0.006  0.750  1.0
[/CIF]
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The material described by AgHgSI crystallizes in the orthorhombic Pmma space group. Ag(1) is bonded to two equivalent S(1), one I(1), and one I(2) atom to form a mixture of distorted edge and corner-sharing AgS2I2 trigonal pyramids. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent I(2) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent S(1) atoms. S(1) is bonded to two equivalent Ag(1), one Hg(1), and one Hg(2) atom to form corner-sharing SAg2Hg2 tetrahedra. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to two equivalent Ag(1) atoms. In the second I site, I(2) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Hg(1) atoms. is represented by the CIF card [CIF]
data_AgHgSI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.602
_cell_length_b   10.049
_cell_length_c   10.198
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   471.596
_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
  Ag  Ag0  1  0.000  0.210  0.425  1.0
  Ag  Ag1  1  0.000  0.790  0.925  1.0
  Ag  Ag2  1  0.000  0.790  0.575  1.0
  Ag  Ag3  1  0.000  0.210  0.075  1.0
  Hg  Hg4  1  0.500  0.240  0.750  1.0
  Hg  Hg5  1  0.500  0.500  0.000  1.0
  Hg  Hg6  1  0.500  0.760  0.250  1.0
  Hg  Hg7  1  0.500  0.500  0.500  1.0
  S  S8  1  0.500  0.262  0.517  1.0
  S  S9  1  0.500  0.738  0.483  1.0
  S  S10  1  0.500  0.262  0.983  1.0
  S  S11  1  0.500  0.738  0.017  1.0
  I  I12  1  0.000  0.539  0.750  1.0
  I  I13  1  0.000  0.994  0.250  1.0
  I  I14  1  0.000  0.461  0.250  1.0
  I  I15  1  0.000  0.006  0.750  1.0
[/CIF]
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