The material structure described by CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CdTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form TeZn3Cd tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form TeZnCd3 tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra. is represented by the CIF file [CIF]
data_ZnCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   7.849
_cell_angle_alpha   33.569
_cell_angle_beta   33.569
_cell_angle_gamma   33.569
_symmetry_Int_Tables_number   1
_cell_volume   131.697
_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
  Te  Te2  1  0.130  0.130  0.130  1.0
  Te  Te3  1  0.620  0.620  0.620  1.0
[/CIF]
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The material structure described by CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. Cd(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form CdTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to one Te(2) and three equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with six equivalent Cd(1)Te4 tetrahedra and corners with six equivalent Zn(1)Te4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cd(1) and three equivalent Zn(1) atoms to form TeZn3Cd tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra. In the second Te site, Te(2) is bonded to three equivalent Cd(1) and one Zn(1) atom to form TeZnCd3 tetrahedra that share corners with six equivalent Te(1)Zn3Cd tetrahedra and corners with six equivalent Te(2)ZnCd3 tetrahedra. is represented by the CIF file [CIF]
data_ZnCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   7.849
_cell_angle_alpha   33.569
_cell_angle_beta   33.569
_cell_angle_gamma   33.569
_symmetry_Int_Tables_number   1
_cell_volume   131.697
_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
  Te  Te2  1  0.130  0.130  0.130  1.0
  Te  Te3  1  0.620  0.620  0.620  1.0
[/CIF]
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