The structure described by Cu2HgSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Hg(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Hg(1) is bonded to four equivalent S(1) atoms to form HgS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Hg(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to two equivalent Cu(1), one Hg(1), and one Sn(1) atom to form corner-sharing SCu2SnHg tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SnHgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.817
_cell_length_b   6.817
_cell_length_c   6.817
_cell_angle_alpha   131.332
_cell_angle_beta   131.332
_cell_angle_gamma   71.286
_symmetry_Int_Tables_number   1
_cell_volume   174.865
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.882  0.401  0.000  1.0
  S  S5  1  0.401  0.882  0.000  1.0
  S  S6  1  0.599  0.599  0.481  1.0
  S  S7  1  0.118  0.118  0.519  1.0
[/CIF]
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The structure described by Cu2HgSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Hg(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Hg(1) is bonded to four equivalent S(1) atoms to form HgS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Hg(1)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. S(1) is bonded to two equivalent Cu(1), one Hg(1), and one Sn(1) atom to form corner-sharing SCu2SnHg tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SnHgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.817
_cell_length_b   6.817
_cell_length_c   6.817
_cell_angle_alpha   131.332
_cell_angle_beta   131.332
_cell_angle_gamma   71.286
_symmetry_Int_Tables_number   1
_cell_volume   174.865
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.882  0.401  0.000  1.0
  S  S5  1  0.401  0.882  0.000  1.0
  S  S6  1  0.599  0.599  0.481  1.0
  S  S7  1  0.118  0.118  0.519  1.0
[/CIF]
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