The material structure described by HgCdSe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. Hg(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form HgSe4 tetrahedra that share corners with six equivalent Hg(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. Cd(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with six equivalent Hg(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Hg(1) and three equivalent Cd(1) atoms to form SeCd3Hg tetrahedra that share corners with six equivalent Se(1)Cd3Hg tetrahedra and corners with six equivalent Se(2)CdHg3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Hg(1) and one Cd(1) atom to form SeCdHg3 tetrahedra that share corners with six equivalent Se(1)Cd3Hg tetrahedra and corners with six equivalent Se(2)CdHg3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdHgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.549
_cell_length_b   7.549
_cell_length_c   7.549
_cell_angle_alpha   33.590
_cell_angle_beta   33.590
_cell_angle_gamma   33.590
_symmetry_Int_Tables_number   1
_cell_volume   117.300
_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
  Cd  Cd0  1  0.500  0.500  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.126  0.126  0.126  1.0
  Se  Se3  1  0.624  0.624  0.624  1.0
[/CIF]
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The material structure described by HgCdSe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. Hg(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form HgSe4 tetrahedra that share corners with six equivalent Hg(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. Cd(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with six equivalent Hg(1)Se4 tetrahedra and corners with six equivalent Cd(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Hg(1) and three equivalent Cd(1) atoms to form SeCd3Hg tetrahedra that share corners with six equivalent Se(1)Cd3Hg tetrahedra and corners with six equivalent Se(2)CdHg3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Hg(1) and one Cd(1) atom to form SeCdHg3 tetrahedra that share corners with six equivalent Se(1)Cd3Hg tetrahedra and corners with six equivalent Se(2)CdHg3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdHgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.549
_cell_length_b   7.549
_cell_length_c   7.549
_cell_angle_alpha   33.590
_cell_angle_beta   33.590
_cell_angle_gamma   33.590
_symmetry_Int_Tables_number   1
_cell_volume   117.300
_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
  Cd  Cd0  1  0.500  0.500  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.126  0.126  0.126  1.0
  Se  Se3  1  0.624  0.624  0.624  1.0
[/CIF]
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