The material structure described by CdZnSe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SeZnCd3 tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.334
_cell_length_c   7.334
_cell_angle_alpha   33.480
_cell_angle_beta   33.480
_cell_angle_gamma   33.480
_symmetry_Int_Tables_number   1
_cell_volume   106.926
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.001  0.001  0.001  1.0
  Se  Se2  1  0.130  0.130  0.130  1.0
  Se  Se3  1  0.619  0.619  0.619  1.0
[/CIF]
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The material structure described by CdZnSe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form CdSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with six equivalent Cd(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form SeZnCd3 tetrahedra that share corners with six equivalent Se(1)Zn3Cd tetrahedra and corners with six equivalent Se(2)ZnCd3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.334
_cell_length_b   7.334
_cell_length_c   7.334
_cell_angle_alpha   33.480
_cell_angle_beta   33.480
_cell_angle_gamma   33.480
_symmetry_Int_Tables_number   1
_cell_volume   106.926
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.001  0.001  0.001  1.0
  Se  Se2  1  0.130  0.130  0.130  1.0
  Se  Se3  1  0.619  0.619  0.619  1.0
[/CIF]
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