The material described by HgS is Cinnabar structured and crystallizes in the trigonal P3_121 space group. Hg(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing HgS6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. S(1) is bonded to six equivalent Hg(1) atoms to form a mixture of corner and edge-sharing SHg6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF file [CIF]
data_HgS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.923
_cell_length_c   9.690
_cell_angle_alpha   90.049
_cell_angle_beta   89.952
_cell_angle_gamma   120.024
_symmetry_Int_Tables_number   1
_cell_volume   129.138
_cell_formula_units_Z   3
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  0.640  0.640  0.000  1.0
  Hg  Hg1  1  0.360  1.000  0.333  1.0
  Hg  Hg2  1  0.000  0.360  0.667  1.0
  S  S3  1  0.741  0.741  0.500  1.0
  S  S4  1  0.259  1.000  0.833  1.0
  S  S5  1  0.000  0.259  0.167  1.0
[/CIF]
.
The material described by HgS is Cinnabar structured and crystallizes in the trigonal P3_121 space group. Hg(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing HgS6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. S(1) is bonded to six equivalent Hg(1) atoms to form a mixture of corner and edge-sharing SHg6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF file [CIF]
data_HgS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   3.923
_cell_length_c   9.690
_cell_angle_alpha   90.049
_cell_angle_beta   89.952
_cell_angle_gamma   120.024
_symmetry_Int_Tables_number   1
_cell_volume   129.138
_cell_formula_units_Z   3
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  0.640  0.640  0.000  1.0
  Hg  Hg1  1  0.360  1.000  0.333  1.0
  Hg  Hg2  1  0.000  0.360  0.667  1.0
  S  S3  1  0.741  0.741  0.500  1.0
  S  S4  1  0.259  1.000  0.833  1.0
  S  S5  1  0.000  0.259  0.167  1.0
[/CIF]
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