The structure described by Hg2TeSe is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to three equivalent Te(1) and one Se(1) atom to form HgTe3Se tetrahedra that share corners with six equivalent Hg(1)Te3Se tetrahedra and corners with six equivalent Hg(2)TeSe3 tetrahedra. In the second Hg site, Hg(2) is bonded to one Te(1) and three equivalent Se(1) atoms to form HgTeSe3 tetrahedra that share corners with six equivalent Hg(1)Te3Se tetrahedra and corners with six equivalent Hg(2)TeSe3 tetrahedra. Te(1) is bonded to one Hg(2) and three equivalent Hg(1) atoms to form TeHg4 tetrahedra that share corners with six equivalent Te(1)Hg4 tetrahedra and corners with six equivalent Se(1)Hg4 tetrahedra. Se(1) is bonded to one Hg(1) and three equivalent Hg(2) atoms to form SeHg4 tetrahedra that share corners with six equivalent Te(1)Hg4 tetrahedra and corners with six equivalent Se(1)Hg4 tetrahedra. is represented by the CIF card [CIF]
data_Hg2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.819
_cell_length_b   7.819
_cell_length_c   7.819
_cell_angle_alpha   33.609
_cell_angle_beta   33.609
_cell_angle_gamma   33.609
_symmetry_Int_Tables_number   1
_cell_volume   130.476
_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  0.004  0.004  0.004  1.0
  Hg  Hg1  1  0.496  0.496  0.496  1.0
  Te  Te2  1  0.624  0.624  0.624  1.0
  Se  Se3  1  0.125  0.125  0.125  1.0
[/CIF]
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The structure described by Hg2TeSe is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to three equivalent Te(1) and one Se(1) atom to form HgTe3Se tetrahedra that share corners with six equivalent Hg(1)Te3Se tetrahedra and corners with six equivalent Hg(2)TeSe3 tetrahedra. In the second Hg site, Hg(2) is bonded to one Te(1) and three equivalent Se(1) atoms to form HgTeSe3 tetrahedra that share corners with six equivalent Hg(1)Te3Se tetrahedra and corners with six equivalent Hg(2)TeSe3 tetrahedra. Te(1) is bonded to one Hg(2) and three equivalent Hg(1) atoms to form TeHg4 tetrahedra that share corners with six equivalent Te(1)Hg4 tetrahedra and corners with six equivalent Se(1)Hg4 tetrahedra. Se(1) is bonded to one Hg(1) and three equivalent Hg(2) atoms to form SeHg4 tetrahedra that share corners with six equivalent Te(1)Hg4 tetrahedra and corners with six equivalent Se(1)Hg4 tetrahedra. is represented by the CIF card [CIF]
data_Hg2TeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.819
_cell_length_b   7.819
_cell_length_c   7.819
_cell_angle_alpha   33.609
_cell_angle_beta   33.609
_cell_angle_gamma   33.609
_symmetry_Int_Tables_number   1
_cell_volume   130.476
_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  0.004  0.004  0.004  1.0
  Hg  Hg1  1  0.496  0.496  0.496  1.0
  Te  Te2  1  0.624  0.624  0.624  1.0
  Se  Se3  1  0.125  0.125  0.125  1.0
[/CIF]
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