The material structure described by Cu2HgSiTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Hg(1)Te4 tetrahedra, and corners with four equivalent Si(1)Te4 tetrahedra. Hg(1) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Si(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Si(1) is bonded to four equivalent Te(1) atoms to form SiTe4 tetrahedra that share corners with four equivalent Hg(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Cu(1), one Hg(1), and one Si(1) atom to form corner-sharing TeCu2SiHg tetrahedra. is represented by the CIF file [CIF]
data_Cu2SiHgTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.420
_cell_length_b   7.420
_cell_length_c   7.420
_cell_angle_alpha   130.607
_cell_angle_beta   130.607
_cell_angle_gamma   72.438
_symmetry_Int_Tables_number   1
_cell_volume   230.099
_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  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.864  0.407  0.000  1.0
  Te  Te5  1  0.407  0.864  0.000  1.0
  Te  Te6  1  0.136  0.136  0.543  1.0
  Te  Te7  1  0.593  0.593  0.457  1.0
[/CIF]
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The material structure described by Cu2HgSiTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Te(1) atoms to form CuTe4 tetrahedra that share corners with four equivalent Cu(1)Te4 tetrahedra, corners with four equivalent Hg(1)Te4 tetrahedra, and corners with four equivalent Si(1)Te4 tetrahedra. Hg(1) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Si(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Si(1) is bonded to four equivalent Te(1) atoms to form SiTe4 tetrahedra that share corners with four equivalent Hg(1)Te4 tetrahedra and corners with eight equivalent Cu(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Cu(1), one Hg(1), and one Si(1) atom to form corner-sharing TeCu2SiHg tetrahedra. is represented by the CIF file [CIF]
data_Cu2SiHgTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.420
_cell_length_b   7.420
_cell_length_c   7.420
_cell_angle_alpha   130.607
_cell_angle_beta   130.607
_cell_angle_gamma   72.438
_symmetry_Int_Tables_number   1
_cell_volume   230.099
_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  0.750  0.250  0.500  1.0
  Cu  Cu1  1  0.250  0.750  0.500  1.0
  Si  Si2  1  0.500  0.500  0.000  1.0
  Hg  Hg3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.864  0.407  0.000  1.0
  Te  Te5  1  0.407  0.864  0.000  1.0
  Te  Te6  1  0.136  0.136  0.543  1.0
  Te  Te7  1  0.593  0.593  0.457  1.0
[/CIF]
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