The compound described by Cu2HgGeSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Hg(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Ge(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Cu(1), one Hg(1), and one Ge(1) atom to form corner-sharing SeCu2HgGe tetrahedra. is represented by the CIF file [CIF]
data_Cu2HgGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.969
_cell_length_b   6.969
_cell_length_c   6.969
_cell_angle_alpha   130.268
_cell_angle_beta   130.268
_cell_angle_gamma   72.979
_symmetry_Int_Tables_number   1
_cell_volume   192.483
_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
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.408  0.408  0.541  1.0
  Se  Se5  1  0.133  0.592  0.000  1.0
  Se  Se6  1  0.592  0.133  0.000  1.0
  Se  Se7  1  0.867  0.867  0.459  1.0
[/CIF]
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The compound described by Cu2HgGeSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent Hg(1)Se4 tetrahedra, and corners with four equivalent Ge(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Ge(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and corners with eight equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to two equivalent Cu(1), one Hg(1), and one Ge(1) atom to form corner-sharing SeCu2HgGe tetrahedra. is represented by the CIF file [CIF]
data_Cu2HgGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.969
_cell_length_b   6.969
_cell_length_c   6.969
_cell_angle_alpha   130.268
_cell_angle_beta   130.268
_cell_angle_gamma   72.979
_symmetry_Int_Tables_number   1
_cell_volume   192.483
_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
  Hg  Hg2  1  0.000  0.000  0.000  1.0
  Ge  Ge3  1  0.500  0.500  0.000  1.0
  Se  Se4  1  0.408  0.408  0.541  1.0
  Se  Se5  1  0.133  0.592  0.000  1.0
  Se  Se6  1  0.592  0.133  0.000  1.0
  Se  Se7  1  0.867  0.867  0.459  1.0
[/CIF]
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