The structure described by Ag4Hg5S5IBrCl2 crystallizes in the monoclinic P2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(5), two equivalent I(1), and one Cl(1) atom. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to one S(6), two equivalent Br(1), and one Cl(2) atom. In the third Ag site, Ag(3) is bonded in a distorted see-saw-like geometry to one S(2), two equivalent S(4), and one I(1) atom. In the fourth Ag site, Ag(4) is bonded in a distorted see-saw-like geometry to one S(1), two equivalent S(3), and one Br(1) atom. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one S(1) and one S(5) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one S(2) and one S(6) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to two equivalent S(3) atoms. In the fourth Hg site, Hg(4) is bonded in a linear geometry to two equivalent S(4) atoms. In the fifth Hg site, Hg(5) is bonded in a linear geometry to one S(2) and one S(3) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to one S(1) and one S(4) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ag(4), one Hg(1), and one Hg(6) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ag(3), one Hg(2), and one Hg(5) atom. In the third S site, S(3) is bonded to two equivalent Ag(4), one Hg(3), and one Hg(5) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Ag(3), one Hg(4), and one Hg(6) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fifth S site, S(5) is bonded in a see-saw-like geometry to two equivalent Ag(1) and two equivalent Hg(1) atoms. In the sixth S site, S(6) is bonded in a see-saw-like geometry to two equivalent Ag(2) and two equivalent Hg(2) atoms. I(1) is bonded in a 3-coordinate geometry to one Ag(3) and two equivalent Ag(1) atoms. Br(1) is bonded in a 3-coordinate geometry to one Ag(4) and two equivalent Ag(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ag(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ag(2) atom. is represented by the CIF card [CIF]
data_Ag4Hg5S5IBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.381
_cell_length_b   12.533
_cell_length_c   17.654
_cell_angle_alpha   90.411
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   969.434
_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
  Ag  Ag0  1  0.419  0.313  0.578  1.0
  Ag  Ag1  1  0.419  0.687  0.422  1.0
  Ag  Ag2  1  0.574  0.187  0.081  1.0
  Ag  Ag3  1  0.574  0.813  0.919  1.0
  Ag  Ag4  1  0.130  0.105  0.687  1.0
  Ag  Ag5  1  0.130  0.895  0.313  1.0
  Ag  Ag6  1  0.875  0.392  0.186  1.0
  Ag  Ag7  1  0.875  0.608  0.814  1.0
  Hg  Hg8  1  0.996  0.580  0.592  1.0
  Hg  Hg9  1  0.996  0.420  0.408  1.0
  Hg  Hg10  1  0.003  0.922  0.092  1.0
  Hg  Hg11  1  0.003  0.078  0.908  1.0
  Hg  Hg12  1  0.346  0.500  0.000  1.0
  Hg  Hg13  1  0.651  0.000  0.500  1.0
  Hg  Hg14  1  0.376  0.327  0.842  1.0
  Hg  Hg15  1  0.376  0.673  0.158  1.0
  Hg  Hg16  1  0.626  0.172  0.339  1.0
  Hg  Hg17  1  0.626  0.828  0.661  1.0
  S  S18  1  0.623  0.640  0.683  1.0
  S  S19  1  0.623  0.360  0.317  1.0
  S  S20  1  0.380  0.862  0.180  1.0
  S  S21  1  0.380  0.138  0.820  1.0
  S  S22  1  0.363  0.517  0.864  1.0
  S  S23  1  0.363  0.483  0.136  1.0
  S  S24  1  0.636  0.984  0.364  1.0
  S  S25  1  0.636  0.016  0.636  1.0
  S  S26  1  0.334  0.500  0.500  1.0
  S  S27  1  0.663  0.000  0.000  1.0
  I  I28  1  0.879  0.328  0.684  1.0
  I  I29  1  0.879  0.672  0.316  1.0
  Br  Br30  1  0.128  0.175  0.181  1.0
  Br  Br31  1  0.128  0.825  0.819  1.0
  Cl  Cl32  1  0.145  0.192  0.481  1.0
  Cl  Cl33  1  0.145  0.808  0.519  1.0
  Cl  Cl34  1  0.850  0.305  0.985  1.0
  Cl  Cl35  1  0.850  0.695  0.015  1.0
[/CIF]
.
The structure described by Ag4Hg5S5IBrCl2 crystallizes in the monoclinic P2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one S(5), two equivalent I(1), and one Cl(1) atom. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to one S(6), two equivalent Br(1), and one Cl(2) atom. In the third Ag site, Ag(3) is bonded in a distorted see-saw-like geometry to one S(2), two equivalent S(4), and one I(1) atom. In the fourth Ag site, Ag(4) is bonded in a distorted see-saw-like geometry to one S(1), two equivalent S(3), and one Br(1) atom. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one S(1) and one S(5) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one S(2) and one S(6) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to two equivalent S(3) atoms. In the fourth Hg site, Hg(4) is bonded in a linear geometry to two equivalent S(4) atoms. In the fifth Hg site, Hg(5) is bonded in a linear geometry to one S(2) and one S(3) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to one S(1) and one S(4) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Ag(4), one Hg(1), and one Hg(6) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Ag(3), one Hg(2), and one Hg(5) atom. In the third S site, S(3) is bonded to two equivalent Ag(4), one Hg(3), and one Hg(5) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Ag(3), one Hg(4), and one Hg(6) atom to form corner-sharing SAg2Hg2 tetrahedra. In the fifth S site, S(5) is bonded in a see-saw-like geometry to two equivalent Ag(1) and two equivalent Hg(1) atoms. In the sixth S site, S(6) is bonded in a see-saw-like geometry to two equivalent Ag(2) and two equivalent Hg(2) atoms. I(1) is bonded in a 3-coordinate geometry to one Ag(3) and two equivalent Ag(1) atoms. Br(1) is bonded in a 3-coordinate geometry to one Ag(4) and two equivalent Ag(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ag(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ag(2) atom. is represented by the CIF card [CIF]
data_Ag4Hg5S5IBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.381
_cell_length_b   12.533
_cell_length_c   17.654
_cell_angle_alpha   90.411
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   969.434
_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
  Ag  Ag0  1  0.419  0.313  0.578  1.0
  Ag  Ag1  1  0.419  0.687  0.422  1.0
  Ag  Ag2  1  0.574  0.187  0.081  1.0
  Ag  Ag3  1  0.574  0.813  0.919  1.0
  Ag  Ag4  1  0.130  0.105  0.687  1.0
  Ag  Ag5  1  0.130  0.895  0.313  1.0
  Ag  Ag6  1  0.875  0.392  0.186  1.0
  Ag  Ag7  1  0.875  0.608  0.814  1.0
  Hg  Hg8  1  0.996  0.580  0.592  1.0
  Hg  Hg9  1  0.996  0.420  0.408  1.0
  Hg  Hg10  1  0.003  0.922  0.092  1.0
  Hg  Hg11  1  0.003  0.078  0.908  1.0
  Hg  Hg12  1  0.346  0.500  0.000  1.0
  Hg  Hg13  1  0.651  0.000  0.500  1.0
  Hg  Hg14  1  0.376  0.327  0.842  1.0
  Hg  Hg15  1  0.376  0.673  0.158  1.0
  Hg  Hg16  1  0.626  0.172  0.339  1.0
  Hg  Hg17  1  0.626  0.828  0.661  1.0
  S  S18  1  0.623  0.640  0.683  1.0
  S  S19  1  0.623  0.360  0.317  1.0
  S  S20  1  0.380  0.862  0.180  1.0
  S  S21  1  0.380  0.138  0.820  1.0
  S  S22  1  0.363  0.517  0.864  1.0
  S  S23  1  0.363  0.483  0.136  1.0
  S  S24  1  0.636  0.984  0.364  1.0
  S  S25  1  0.636  0.016  0.636  1.0
  S  S26  1  0.334  0.500  0.500  1.0
  S  S27  1  0.663  0.000  0.000  1.0
  I  I28  1  0.879  0.328  0.684  1.0
  I  I29  1  0.879  0.672  0.316  1.0
  Br  Br30  1  0.128  0.175  0.181  1.0
  Br  Br31  1  0.128  0.825  0.819  1.0
  Cl  Cl32  1  0.145  0.192  0.481  1.0
  Cl  Cl33  1  0.145  0.808  0.519  1.0
  Cl  Cl34  1  0.850  0.305  0.985  1.0
  Cl  Cl35  1  0.850  0.695  0.015  1.0
[/CIF]
.