The crystal structure described by Cr4CdZnSe8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form CrSe6 octahedra that share corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and edges with six equivalent Cr(1)Se6 octahedra. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 60°. Zn(1) is bonded to four equivalent Se(2) atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and one Cd(1) atom to form distorted SeCr3Cd tetrahedra that share corners with three equivalent Se(1)Cr3Cd tetrahedra, corners with nine equivalent Se(2)ZnCr3 trigonal pyramids, and edges with three equivalent Se(1)Cr3Cd tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Zn(1) atom to form distorted SeZnCr3 trigonal pyramids that share corners with nine equivalent Se(1)Cr3Cd tetrahedra, corners with three equivalent Se(2)ZnCr3 trigonal pyramids, and edges with three equivalent Se(2)ZnCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_ZnCr4CdSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   7.607
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.277
_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
  Cr  Cr1  1  0.625  0.125  0.125  1.0
  Cr  Cr2  1  0.125  0.625  0.125  1.0
  Cr  Cr3  1  0.125  0.125  0.625  1.0
  Cr  Cr4  1  0.125  0.125  0.125  1.0
  Cd  Cd5  1  0.750  0.750  0.750  1.0
  Se  Se6  1  0.328  0.891  0.891  1.0
  Se  Se7  1  0.891  0.328  0.891  1.0
  Se  Se8  1  0.891  0.891  0.328  1.0
  Se  Se9  1  0.891  0.891  0.891  1.0
  Se  Se10  1  0.907  0.364  0.364  1.0
  Se  Se11  1  0.364  0.907  0.364  1.0
  Se  Se12  1  0.364  0.364  0.907  1.0
  Se  Se13  1  0.364  0.364  0.364  1.0
[/CIF]
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The crystal structure described by Cr4CdZnSe8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form CrSe6 octahedra that share corners with three equivalent Cd(1)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and edges with six equivalent Cr(1)Se6 octahedra. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 60°. Zn(1) is bonded to four equivalent Se(2) atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and one Cd(1) atom to form distorted SeCr3Cd tetrahedra that share corners with three equivalent Se(1)Cr3Cd tetrahedra, corners with nine equivalent Se(2)ZnCr3 trigonal pyramids, and edges with three equivalent Se(1)Cr3Cd tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Zn(1) atom to form distorted SeZnCr3 trigonal pyramids that share corners with nine equivalent Se(1)Cr3Cd tetrahedra, corners with three equivalent Se(2)ZnCr3 trigonal pyramids, and edges with three equivalent Se(2)ZnCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_ZnCr4CdSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   7.607
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.277
_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
  Cr  Cr1  1  0.625  0.125  0.125  1.0
  Cr  Cr2  1  0.125  0.625  0.125  1.0
  Cr  Cr3  1  0.125  0.125  0.625  1.0
  Cr  Cr4  1  0.125  0.125  0.125  1.0
  Cd  Cd5  1  0.750  0.750  0.750  1.0
  Se  Se6  1  0.328  0.891  0.891  1.0
  Se  Se7  1  0.891  0.328  0.891  1.0
  Se  Se8  1  0.891  0.891  0.328  1.0
  Se  Se9  1  0.891  0.891  0.891  1.0
  Se  Se10  1  0.907  0.364  0.364  1.0
  Se  Se11  1  0.364  0.907  0.364  1.0
  Se  Se12  1  0.364  0.364  0.907  1.0
  Se  Se13  1  0.364  0.364  0.364  1.0
[/CIF]
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