The material described by Cr4CuZnSe8 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 Cu(1)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and edges with six equivalent Cr(1)Se6 octahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 57°. 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 59°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SeZnCr3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr4CuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.432
_cell_length_b   7.432
_cell_length_c   7.432
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   290.265
_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  0.630  0.123  0.123  1.0
  Cr  Cr2  1  0.123  0.630  0.123  1.0
  Cr  Cr3  1  0.123  0.123  0.630  1.0
  Cr  Cr4  1  0.123  0.123  0.123  1.0
  Cu  Cu5  1  0.750  0.750  0.750  1.0
  Se  Se6  1  0.351  0.883  0.883  1.0
  Se  Se7  1  0.883  0.351  0.883  1.0
  Se  Se8  1  0.883  0.883  0.351  1.0
  Se  Se9  1  0.883  0.883  0.883  1.0
  Se  Se10  1  0.906  0.365  0.365  1.0
  Se  Se11  1  0.365  0.906  0.365  1.0
  Se  Se12  1  0.365  0.365  0.906  1.0
  Se  Se13  1  0.365  0.365  0.365  1.0
[/CIF]
.
The material described by Cr4CuZnSe8 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 Cu(1)Se4 tetrahedra, corners with three equivalent Zn(1)Se4 tetrahedra, and edges with six equivalent Cr(1)Se6 octahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with twelve equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 57°. 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 59°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing SeZnCr3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr4CuSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.432
_cell_length_b   7.432
_cell_length_c   7.432
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   290.265
_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  0.630  0.123  0.123  1.0
  Cr  Cr2  1  0.123  0.630  0.123  1.0
  Cr  Cr3  1  0.123  0.123  0.630  1.0
  Cr  Cr4  1  0.123  0.123  0.123  1.0
  Cu  Cu5  1  0.750  0.750  0.750  1.0
  Se  Se6  1  0.351  0.883  0.883  1.0
  Se  Se7  1  0.883  0.351  0.883  1.0
  Se  Se8  1  0.883  0.883  0.351  1.0
  Se  Se9  1  0.883  0.883  0.883  1.0
  Se  Se10  1  0.906  0.365  0.365  1.0
  Se  Se11  1  0.365  0.906  0.365  1.0
  Se  Se12  1  0.365  0.365  0.906  1.0
  Se  Se13  1  0.365  0.365  0.365  1.0
[/CIF]
.