The crystal structure described by CuCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. O(1) is bonded to three equivalent Cr(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OCr3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_Cr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.869
_cell_length_c   5.869
_cell_angle_alpha   60.002
_cell_angle_beta   60.002
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   142.950
_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
  Cr  Cr0  1  0.500  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.875  0.875  0.875  1.0
  Cu  Cu5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.737  0.737  0.737  1.0
  O  O7  1  0.263  0.263  0.711  1.0
  O  O8  1  0.263  0.711  0.263  1.0
  O  O9  1  0.711  0.263  0.263  1.0
  O  O10  1  0.737  0.289  0.737  1.0
  O  O11  1  0.289  0.737  0.737  1.0
  O  O12  1  0.263  0.263  0.263  1.0
  O  O13  1  0.737  0.737  0.289  1.0
[/CIF]
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The crystal structure described by CuCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. O(1) is bonded to three equivalent Cr(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OCr3Cu trigonal pyramids. is represented by the CIF file [CIF]
data_Cr2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.869
_cell_length_c   5.869
_cell_angle_alpha   60.002
_cell_angle_beta   60.002
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   142.950
_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
  Cr  Cr0  1  0.500  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.875  0.875  0.875  1.0
  Cu  Cu5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.737  0.737  0.737  1.0
  O  O7  1  0.263  0.263  0.711  1.0
  O  O8  1  0.263  0.711  0.263  1.0
  O  O9  1  0.711  0.263  0.263  1.0
  O  O10  1  0.737  0.289  0.737  1.0
  O  O11  1  0.289  0.737  0.737  1.0
  O  O12  1  0.263  0.263  0.263  1.0
  O  O13  1  0.737  0.737  0.289  1.0
[/CIF]
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