The material structure described by Hg2GeSe4 crystallizes in the tetragonal I-4 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Hg(2)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. In the second Hg site, Hg(2) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and corners with four equivalent Ge(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 four equivalent Hg(2)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   5.770
_cell_length_c   7.031
_cell_angle_alpha   114.226
_cell_angle_beta   114.226
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.642
_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
  Hg  Hg0  1  0.500  0.500  0.000  1.0
  Hg  Hg1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.073  0.637  0.760  1.0
  Se  Se4  1  0.877  0.927  0.240  1.0
  Se  Se5  1  0.687  0.123  0.760  1.0
  Se  Se6  1  0.363  0.313  0.240  1.0
[/CIF]
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The material structure described by Hg2GeSe4 crystallizes in the tetragonal I-4 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Hg(2)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. In the second Hg site, Hg(2) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and corners with four equivalent Ge(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 four equivalent Hg(2)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Hg(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.770
_cell_length_b   5.770
_cell_length_c   7.031
_cell_angle_alpha   114.226
_cell_angle_beta   114.226
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   190.642
_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
  Hg  Hg0  1  0.500  0.500  0.000  1.0
  Hg  Hg1  1  0.250  0.750  0.500  1.0
  Ge  Ge2  1  0.750  0.250  0.500  1.0
  Se  Se3  1  0.073  0.637  0.760  1.0
  Se  Se4  1  0.877  0.927  0.240  1.0
  Se  Se5  1  0.687  0.123  0.760  1.0
  Se  Se6  1  0.363  0.313  0.240  1.0
[/CIF]
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