The material structure described by Ag4Hg4S4BrCl3 crystallizes in the triclinic P1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to two equivalent S(1) and one Cl(3) atom. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to two equivalent S(2), one Cl(2), and one Cl(3) atom. In the third Ag site, Ag(3) is bonded to two equivalent S(3), one Br(1), and one Cl(1) atom to form distorted corner-sharing AgS2BrCl trigonal pyramids. In the fourth Ag site, Ag(4) is bonded in a distorted trigonal planar geometry to two equivalent S(4) and one Br(1) atom. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one S(1) and one S(3) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one S(2) and one S(4) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to one S(1) and one S(3) atom. In the fourth Hg site, Hg(4) is bonded in a linear geometry to one S(2) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), one Hg(1), and one Hg(3) atom to form corner-sharing SAg2Hg2 trigonal pyramids. In the second S site, S(2) is bonded to two equivalent Ag(2), one Hg(2), and one Hg(4) atom to form corner-sharing SAg2Hg2 trigonal pyramids. In the third S site, S(3) is bonded to two equivalent Ag(3), one Hg(1), and one Hg(3) atom to form corner-sharing SAg2Hg2 trigonal pyramids. In the fourth S site, S(4) is bonded to two equivalent Ag(4), one Hg(2), and one Hg(4) atom to form corner-sharing SAg2Hg2 trigonal pyramids. Br(1) is bonded in a 2-coordinate geometry to one Ag(3) and one Ag(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Ag(3) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Ag(2) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Ag(1) and one Ag(2) atom. is represented by the CIF file [CIF]
data_Ag4Hg4S4BrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.539
_cell_length_b   6.981
_cell_length_c   13.285
_cell_angle_alpha   89.730
_cell_angle_beta   89.949
_cell_angle_gamma   89.889
_symmetry_Int_Tables_number   1
_cell_volume   420.940
_cell_formula_units_Z   1
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  0.012  0.790  0.457  1.0
  Ag  Ag1  1  0.012  0.211  0.544  1.0
  Ag  Ag2  1  0.987  0.292  0.044  1.0
  Ag  Ag3  1  0.988  0.705  0.950  1.0
  Hg  Hg4  1  0.501  0.628  0.244  1.0
  Hg  Hg5  1  0.505  0.371  0.757  1.0
  Hg  Hg6  1  0.495  0.129  0.262  1.0
  Hg  Hg7  1  0.497  0.872  0.739  1.0
  S  S8  1  0.509  0.861  0.379  1.0
  S  S9  1  0.509  0.138  0.624  1.0
  S  S10  1  0.489  0.363  0.127  1.0
  S  S11  1  0.492  0.636  0.873  1.0
  Br  Br12  1  0.005  0.874  0.128  1.0
  Cl  Cl13  1  0.000  0.133  0.870  1.0
  Cl  Cl14  1  1.000  0.371  0.372  1.0
  Cl  Cl15  1  1.000  0.628  0.630  1.0
[/CIF]
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The material structure described by Ag4Hg4S4BrCl3 crystallizes in the triclinic P1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 3-coordinate geometry to two equivalent S(1) and one Cl(3) atom. In the second Ag site, Ag(2) is bonded in a 3-coordinate geometry to two equivalent S(2), one Cl(2), and one Cl(3) atom. In the third Ag site, Ag(3) is bonded to two equivalent S(3), one Br(1), and one Cl(1) atom to form distorted corner-sharing AgS2BrCl trigonal pyramids. In the fourth Ag site, Ag(4) is bonded in a distorted trigonal planar geometry to two equivalent S(4) and one Br(1) atom. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one S(1) and one S(3) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one S(2) and one S(4) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to one S(1) and one S(3) atom. In the fourth Hg site, Hg(4) is bonded in a linear geometry to one S(2) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), one Hg(1), and one Hg(3) atom to form corner-sharing SAg2Hg2 trigonal pyramids. In the second S site, S(2) is bonded to two equivalent Ag(2), one Hg(2), and one Hg(4) atom to form corner-sharing SAg2Hg2 trigonal pyramids. In the third S site, S(3) is bonded to two equivalent Ag(3), one Hg(1), and one Hg(3) atom to form corner-sharing SAg2Hg2 trigonal pyramids. In the fourth S site, S(4) is bonded to two equivalent Ag(4), one Hg(2), and one Hg(4) atom to form corner-sharing SAg2Hg2 trigonal pyramids. Br(1) is bonded in a 2-coordinate geometry to one Ag(3) and one Ag(4) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Ag(3) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Ag(2) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Ag(1) and one Ag(2) atom. is represented by the CIF file [CIF]
data_Ag4Hg4S4BrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.539
_cell_length_b   6.981
_cell_length_c   13.285
_cell_angle_alpha   89.730
_cell_angle_beta   89.949
_cell_angle_gamma   89.889
_symmetry_Int_Tables_number   1
_cell_volume   420.940
_cell_formula_units_Z   1
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  0.012  0.790  0.457  1.0
  Ag  Ag1  1  0.012  0.211  0.544  1.0
  Ag  Ag2  1  0.987  0.292  0.044  1.0
  Ag  Ag3  1  0.988  0.705  0.950  1.0
  Hg  Hg4  1  0.501  0.628  0.244  1.0
  Hg  Hg5  1  0.505  0.371  0.757  1.0
  Hg  Hg6  1  0.495  0.129  0.262  1.0
  Hg  Hg7  1  0.497  0.872  0.739  1.0
  S  S8  1  0.509  0.861  0.379  1.0
  S  S9  1  0.509  0.138  0.624  1.0
  S  S10  1  0.489  0.363  0.127  1.0
  S  S11  1  0.492  0.636  0.873  1.0
  Br  Br12  1  0.005  0.874  0.128  1.0
  Cl  Cl13  1  0.000  0.133  0.870  1.0
  Cl  Cl14  1  1.000  0.371  0.372  1.0
  Cl  Cl15  1  1.000  0.628  0.630  1.0
[/CIF]
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