The structure described by Hg4SiS6 crystallizes in the monoclinic Cc space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1), one S(2), one S(5), and one S(6) atom to form HgS4 trigonal pyramids that share corners with two equivalent Hg(4)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with three equivalent Hg(3)S4 tetrahedra. In the second Hg site, Hg(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form HgS4 tetrahedra that share corners with two equivalent Hg(3)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(4)S4 tetrahedra, and corners with three equivalent Hg(1)S4 trigonal pyramids. In the third Hg site, Hg(3) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form HgS4 tetrahedra that share corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(4)S4 tetrahedra, and corners with three equivalent Hg(1)S4 trigonal pyramids. In the fourth Hg site, Hg(4) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form HgS4 tetrahedra that share corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, corners with three equivalent Hg(3)S4 tetrahedra, and corners with two equivalent Hg(1)S4 trigonal pyramids. Si(1) is bonded to one S(2), one S(3), one S(4), and one S(6) atom to form SiS4 tetrahedra that share corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Hg(3)S4 tetrahedra, corners with two equivalent Hg(4)S4 tetrahedra, and corners with two equivalent Hg(1)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Si(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Hg(3), one Hg(4), and one Si(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Hg(4), and one Si(1) atom. In the fifth S site, S(5) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. In the sixth S site, S(6) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si(Hg2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.305
_cell_length_b   7.305
_cell_length_c   12.680
_cell_angle_alpha   72.470
_cell_angle_beta   72.470
_cell_angle_gamma   59.755
_symmetry_Int_Tables_number   1
_cell_volume   548.166
_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
  Si  Si0  1  0.867  0.323  0.603  1.0
  Si  Si1  1  0.323  0.867  0.103  1.0
  Hg  Hg2  1  0.336  0.721  0.695  1.0
  Hg  Hg3  1  0.721  0.336  0.195  1.0
  Hg  Hg4  1  0.099  0.218  0.849  1.0
  Hg  Hg5  1  0.218  0.099  0.349  1.0
  Hg  Hg6  1  0.226  0.461  0.042  1.0
  Hg  Hg7  1  0.461  0.226  0.542  1.0
  Hg  Hg8  1  0.726  0.920  0.854  1.0
  Hg  Hg9  1  0.920  0.726  0.354  1.0
  S  S10  1  0.977  0.453  0.234  1.0
  S  S11  1  0.453  0.977  0.734  1.0
  S  S12  1  0.037  0.016  0.555  1.0
  S  S13  1  0.016  0.037  0.055  1.0
  S  S14  1  0.514  0.034  0.051  1.0
  S  S15  1  0.034  0.514  0.551  1.0
  S  S16  1  0.761  0.290  0.782  1.0
  S  S17  1  0.290  0.761  0.282  1.0
  S  S18  1  0.093  0.584  0.854  1.0
  S  S19  1  0.584  0.093  0.354  1.0
  S  S20  1  0.580  0.515  0.530  1.0
  S  S21  1  0.515  0.580  0.030  1.0
[/CIF]
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The structure described by Hg4SiS6 crystallizes in the monoclinic Cc space group. There are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1), one S(2), one S(5), and one S(6) atom to form HgS4 trigonal pyramids that share corners with two equivalent Hg(4)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with three equivalent Hg(3)S4 tetrahedra. In the second Hg site, Hg(2) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form HgS4 tetrahedra that share corners with two equivalent Hg(3)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(4)S4 tetrahedra, and corners with three equivalent Hg(1)S4 trigonal pyramids. In the third Hg site, Hg(3) is bonded to one S(1), one S(3), one S(5), and one S(6) atom to form HgS4 tetrahedra that share corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(4)S4 tetrahedra, and corners with three equivalent Hg(1)S4 trigonal pyramids. In the fourth Hg site, Hg(4) is bonded to one S(1), one S(3), one S(4), and one S(5) atom to form HgS4 tetrahedra that share corners with two equivalent Si(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, corners with three equivalent Hg(3)S4 tetrahedra, and corners with two equivalent Hg(1)S4 trigonal pyramids. Si(1) is bonded to one S(2), one S(3), one S(4), and one S(6) atom to form SiS4 tetrahedra that share corners with two equivalent Hg(2)S4 tetrahedra, corners with two equivalent Hg(3)S4 tetrahedra, corners with two equivalent Hg(4)S4 tetrahedra, and corners with two equivalent Hg(1)S4 trigonal pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Si(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Hg(3), one Hg(4), and one Si(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Hg(4), and one Si(1) atom. In the fifth S site, S(5) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing SHg4 tetrahedra. In the sixth S site, S(6) is bonded in a distorted trigonal non-coplanar geometry to one Hg(1), one Hg(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si(Hg2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.305
_cell_length_b   7.305
_cell_length_c   12.680
_cell_angle_alpha   72.470
_cell_angle_beta   72.470
_cell_angle_gamma   59.755
_symmetry_Int_Tables_number   1
_cell_volume   548.166
_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
  Si  Si0  1  0.867  0.323  0.603  1.0
  Si  Si1  1  0.323  0.867  0.103  1.0
  Hg  Hg2  1  0.336  0.721  0.695  1.0
  Hg  Hg3  1  0.721  0.336  0.195  1.0
  Hg  Hg4  1  0.099  0.218  0.849  1.0
  Hg  Hg5  1  0.218  0.099  0.349  1.0
  Hg  Hg6  1  0.226  0.461  0.042  1.0
  Hg  Hg7  1  0.461  0.226  0.542  1.0
  Hg  Hg8  1  0.726  0.920  0.854  1.0
  Hg  Hg9  1  0.920  0.726  0.354  1.0
  S  S10  1  0.977  0.453  0.234  1.0
  S  S11  1  0.453  0.977  0.734  1.0
  S  S12  1  0.037  0.016  0.555  1.0
  S  S13  1  0.016  0.037  0.055  1.0
  S  S14  1  0.514  0.034  0.051  1.0
  S  S15  1  0.034  0.514  0.551  1.0
  S  S16  1  0.761  0.290  0.782  1.0
  S  S17  1  0.290  0.761  0.282  1.0
  S  S18  1  0.093  0.584  0.854  1.0
  S  S19  1  0.584  0.093  0.354  1.0
  S  S20  1  0.580  0.515  0.530  1.0
  S  S21  1  0.515  0.580  0.030  1.0
[/CIF]
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