The material described by HgMo6S8 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Hg(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.589
_cell_length_b   6.589
_cell_length_c   6.589
_cell_angle_alpha   92.930
_cell_angle_beta   92.930
_cell_angle_gamma   92.930
_symmetry_Int_Tables_number   1
_cell_volume   284.901
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.408  0.219  0.554  1.0
  Mo  Mo2  1  0.219  0.554  0.408  1.0
  Mo  Mo3  1  0.554  0.408  0.219  1.0
  Mo  Mo4  1  0.592  0.781  0.446  1.0
  Mo  Mo5  1  0.781  0.446  0.592  1.0
  Mo  Mo6  1  0.446  0.592  0.781  1.0
  S  S7  1  0.227  0.227  0.227  1.0
  S  S8  1  0.773  0.773  0.773  1.0
  S  S9  1  0.382  0.722  0.132  1.0
  S  S10  1  0.722  0.132  0.382  1.0
  S  S11  1  0.132  0.382  0.722  1.0
  S  S12  1  0.618  0.278  0.868  1.0
  S  S13  1  0.278  0.868  0.618  1.0
  S  S14  1  0.868  0.618  0.278  1.0
[/CIF]
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The material described by HgMo6S8 crystallizes in the trigonal R-3 space group. Mo(1) is bonded to one S(1) and four equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing MoS5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1) and one Hg(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.589
_cell_length_b   6.589
_cell_length_c   6.589
_cell_angle_alpha   92.930
_cell_angle_beta   92.930
_cell_angle_gamma   92.930
_symmetry_Int_Tables_number   1
_cell_volume   284.901
_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
  Hg  Hg0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.408  0.219  0.554  1.0
  Mo  Mo2  1  0.219  0.554  0.408  1.0
  Mo  Mo3  1  0.554  0.408  0.219  1.0
  Mo  Mo4  1  0.592  0.781  0.446  1.0
  Mo  Mo5  1  0.781  0.446  0.592  1.0
  Mo  Mo6  1  0.446  0.592  0.781  1.0
  S  S7  1  0.227  0.227  0.227  1.0
  S  S8  1  0.773  0.773  0.773  1.0
  S  S9  1  0.382  0.722  0.132  1.0
  S  S10  1  0.722  0.132  0.382  1.0
  S  S11  1  0.132  0.382  0.722  1.0
  S  S12  1  0.618  0.278  0.868  1.0
  S  S13  1  0.278  0.868  0.618  1.0
  S  S14  1  0.868  0.618  0.278  1.0
[/CIF]
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