The crystal structure described by MnHgS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one S(2) and three equivalent S(1) atoms to form MnS4 tetrahedra that share corners with six equivalent Mn(1)S4 tetrahedra and corners with six equivalent Hg(1)S4 tetrahedra. Hg(1) is bonded to one S(1) and three equivalent S(2) atoms to form HgS4 tetrahedra that share corners with six equivalent Mn(1)S4 tetrahedra and corners with six equivalent Hg(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mn(1) and one Hg(1) atom to form SMn3Hg tetrahedra that share corners with six equivalent S(1)Mn3Hg tetrahedra and corners with six equivalent S(2)MnHg3 tetrahedra. In the second S site, S(2) is bonded to one Mn(1) and three equivalent Hg(1) atoms to form SMnHg3 tetrahedra that share corners with six equivalent S(1)Mn3Hg tetrahedra and corners with six equivalent S(2)MnHg3 tetrahedra. is represented by the CIF card [CIF]
data_MnHgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.065
_cell_length_b   7.065
_cell_length_c   7.065
_cell_angle_alpha   33.900
_cell_angle_beta   33.900
_cell_angle_gamma   33.900
_symmetry_Int_Tables_number   1
_cell_volume   97.780
_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
  Mn  Mn0  1  0.498  0.498  0.498  1.0
  Hg  Hg1  1  0.002  0.002  0.002  1.0
  S  S2  1  0.131  0.131  0.131  1.0
  S  S3  1  0.618  0.618  0.618  1.0
[/CIF]
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The crystal structure described by MnHgS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one S(2) and three equivalent S(1) atoms to form MnS4 tetrahedra that share corners with six equivalent Mn(1)S4 tetrahedra and corners with six equivalent Hg(1)S4 tetrahedra. Hg(1) is bonded to one S(1) and three equivalent S(2) atoms to form HgS4 tetrahedra that share corners with six equivalent Mn(1)S4 tetrahedra and corners with six equivalent Hg(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mn(1) and one Hg(1) atom to form SMn3Hg tetrahedra that share corners with six equivalent S(1)Mn3Hg tetrahedra and corners with six equivalent S(2)MnHg3 tetrahedra. In the second S site, S(2) is bonded to one Mn(1) and three equivalent Hg(1) atoms to form SMnHg3 tetrahedra that share corners with six equivalent S(1)Mn3Hg tetrahedra and corners with six equivalent S(2)MnHg3 tetrahedra. is represented by the CIF card [CIF]
data_MnHgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.065
_cell_length_b   7.065
_cell_length_c   7.065
_cell_angle_alpha   33.900
_cell_angle_beta   33.900
_cell_angle_gamma   33.900
_symmetry_Int_Tables_number   1
_cell_volume   97.780
_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
  Mn  Mn0  1  0.498  0.498  0.498  1.0
  Hg  Hg1  1  0.002  0.002  0.002  1.0
  S  S2  1  0.131  0.131  0.131  1.0
  S  S3  1  0.618  0.618  0.618  1.0
[/CIF]
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