The compound described by MnHg3S4 is Enargite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one S(4) and three equivalent S(3) atoms to form MnS4 tetrahedra that share corners with three equivalent Hg(1)S4 tetrahedra, corners with three equivalent Hg(3)S4 tetrahedra, and corners with six equivalent Mn(1)S4 tetrahedra. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1) and three equivalent S(4) atoms to form HgS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with six equivalent Hg(1)S4 tetrahedra. In the second Hg site, Hg(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing HgS4 tetrahedra. In the third Hg site, Hg(3) is bonded to one S(3) and three equivalent S(2) atoms to form HgS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with six equivalent Hg(3)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Hg(1) and three equivalent Hg(2) atoms to form SHg4 tetrahedra that share corners with three equivalent S(2)Hg4 tetrahedra, corners with three equivalent S(4)MnHg3 tetrahedra, and corners with six equivalent S(1)Hg4 tetrahedra. In the second S site, S(2) is bonded to one Hg(2) and three equivalent Hg(3) atoms to form SHg4 tetrahedra that share corners with three equivalent S(1)Hg4 tetrahedra, corners with three equivalent S(3)Mn3Hg tetrahedra, and corners with six equivalent S(2)Hg4 tetrahedra. In the third S site, S(3) is bonded to three equivalent Mn(1) and one Hg(3) atom to form SMn3Hg tetrahedra that share corners with three equivalent S(2)Hg4 tetrahedra, corners with three equivalent S(4)MnHg3 tetrahedra, and corners with six equivalent S(3)Mn3Hg tetrahedra. In the fourth S site, S(4) is bonded to one Mn(1) and three equivalent Hg(1) atoms to form SMnHg3 tetrahedra that share corners with three equivalent S(1)Hg4 tetrahedra, corners with three equivalent S(3)Mn3Hg tetrahedra, and corners with six equivalent S(4)MnHg3 tetrahedra. is represented by the CIF file [CIF]
data_MnHg3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.833
_cell_length_b   13.833
_cell_length_c   13.833
_cell_angle_alpha   17.424
_cell_angle_beta   17.424
_cell_angle_gamma   17.424
_symmetry_Int_Tables_number   1
_cell_volume   207.130
_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  0.751  0.751  0.751  1.0
  Hg  Hg1  1  0.002  0.002  0.002  1.0
  Hg  Hg2  1  0.250  0.250  0.250  1.0
  Hg  Hg3  1  0.497  0.497  0.497  1.0
  S  S4  1  0.939  0.939  0.939  1.0
  S  S5  1  0.186  0.186  0.186  1.0
  S  S6  1  0.433  0.433  0.433  1.0
  S  S7  1  0.692  0.692  0.692  1.0
[/CIF]
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The compound described by MnHg3S4 is Enargite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one S(4) and three equivalent S(3) atoms to form MnS4 tetrahedra that share corners with three equivalent Hg(1)S4 tetrahedra, corners with three equivalent Hg(3)S4 tetrahedra, and corners with six equivalent Mn(1)S4 tetrahedra. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one S(1) and three equivalent S(4) atoms to form HgS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with six equivalent Hg(1)S4 tetrahedra. In the second Hg site, Hg(2) is bonded to one S(2) and three equivalent S(1) atoms to form corner-sharing HgS4 tetrahedra. In the third Hg site, Hg(3) is bonded to one S(3) and three equivalent S(2) atoms to form HgS4 tetrahedra that share corners with three equivalent Mn(1)S4 tetrahedra, corners with three equivalent Hg(2)S4 tetrahedra, and corners with six equivalent Hg(3)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Hg(1) and three equivalent Hg(2) atoms to form SHg4 tetrahedra that share corners with three equivalent S(2)Hg4 tetrahedra, corners with three equivalent S(4)MnHg3 tetrahedra, and corners with six equivalent S(1)Hg4 tetrahedra. In the second S site, S(2) is bonded to one Hg(2) and three equivalent Hg(3) atoms to form SHg4 tetrahedra that share corners with three equivalent S(1)Hg4 tetrahedra, corners with three equivalent S(3)Mn3Hg tetrahedra, and corners with six equivalent S(2)Hg4 tetrahedra. In the third S site, S(3) is bonded to three equivalent Mn(1) and one Hg(3) atom to form SMn3Hg tetrahedra that share corners with three equivalent S(2)Hg4 tetrahedra, corners with three equivalent S(4)MnHg3 tetrahedra, and corners with six equivalent S(3)Mn3Hg tetrahedra. In the fourth S site, S(4) is bonded to one Mn(1) and three equivalent Hg(1) atoms to form SMnHg3 tetrahedra that share corners with three equivalent S(1)Hg4 tetrahedra, corners with three equivalent S(3)Mn3Hg tetrahedra, and corners with six equivalent S(4)MnHg3 tetrahedra. is represented by the CIF file [CIF]
data_MnHg3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.833
_cell_length_b   13.833
_cell_length_c   13.833
_cell_angle_alpha   17.424
_cell_angle_beta   17.424
_cell_angle_gamma   17.424
_symmetry_Int_Tables_number   1
_cell_volume   207.130
_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  0.751  0.751  0.751  1.0
  Hg  Hg1  1  0.002  0.002  0.002  1.0
  Hg  Hg2  1  0.250  0.250  0.250  1.0
  Hg  Hg3  1  0.497  0.497  0.497  1.0
  S  S4  1  0.939  0.939  0.939  1.0
  S  S5  1  0.186  0.186  0.186  1.0
  S  S6  1  0.433  0.433  0.433  1.0
  S  S7  1  0.692  0.692  0.692  1.0
[/CIF]
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