The material described by CdZnTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cd(1) is bonded to four equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with eight equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to four equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with four equivalent Zn(1)Te4 tetrahedra and corners with eight equivalent Cd(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Cd(1) and two equivalent Zn(1) atoms to form corner-sharing TeZn2Cd2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   6.358
_cell_length_c   7.728
_cell_angle_alpha   114.287
_cell_angle_beta   114.287
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.084
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.750  0.250  0.500  1.0
  Te  Te4  1  0.351  0.375  0.250  1.0
  Te  Te5  1  0.899  0.875  0.250  1.0
  Te  Te6  1  0.625  0.101  0.750  1.0
  Te  Te7  1  0.125  0.649  0.750  1.0
[/CIF]
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The material described by CdZnTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Cd(1) is bonded to four equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with eight equivalent Zn(1)Te4 tetrahedra. Zn(1) is bonded to four equivalent Te(1) atoms to form ZnTe4 tetrahedra that share corners with four equivalent Zn(1)Te4 tetrahedra and corners with eight equivalent Cd(1)Te4 tetrahedra. Te(1) is bonded to two equivalent Cd(1) and two equivalent Zn(1) atoms to form corner-sharing TeZn2Cd2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCdTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.358
_cell_length_b   6.358
_cell_length_c   7.728
_cell_angle_alpha   114.287
_cell_angle_beta   114.287
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.084
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.250  0.750  0.500  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.750  0.250  0.500  1.0
  Te  Te4  1  0.351  0.375  0.250  1.0
  Te  Te5  1  0.899  0.875  0.250  1.0
  Te  Te6  1  0.625  0.101  0.750  1.0
  Te  Te7  1  0.125  0.649  0.750  1.0
[/CIF]
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