The material described by CuCo2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded to three equivalent Co(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OCo3Cu trigonal pyramids. is represented by the CIF card [CIF]
data_Co2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   5.865
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   142.656
_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
  Co  Co0  1  0.625  0.125  0.625  1.0
  Co  Co1  1  0.625  0.625  0.125  1.0
  Co  Co2  1  0.125  0.625  0.625  1.0
  Co  Co3  1  0.625  0.625  0.625  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.386  0.386  0.386  1.0
  O  O7  1  0.842  0.386  0.386  1.0
  O  O8  1  0.386  0.386  0.842  1.0
  O  O9  1  0.386  0.842  0.386  1.0
  O  O10  1  0.864  0.408  0.864  1.0
  O  O11  1  0.864  0.864  0.408  1.0
  O  O12  1  0.408  0.864  0.864  1.0
  O  O13  1  0.864  0.864  0.864  1.0
[/CIF]
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The material described by CuCo2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Cu(1)O4 tetrahedra and edges with six equivalent Co(1)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. O(1) is bonded to three equivalent Co(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OCo3Cu trigonal pyramids. is represented by the CIF card [CIF]
data_Co2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.865
_cell_length_b   5.865
_cell_length_c   5.865
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   142.656
_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
  Co  Co0  1  0.625  0.125  0.625  1.0
  Co  Co1  1  0.625  0.625  0.125  1.0
  Co  Co2  1  0.125  0.625  0.625  1.0
  Co  Co3  1  0.625  0.625  0.625  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.386  0.386  0.386  1.0
  O  O7  1  0.842  0.386  0.386  1.0
  O  O8  1  0.386  0.386  0.842  1.0
  O  O9  1  0.386  0.842  0.386  1.0
  O  O10  1  0.864  0.408  0.864  1.0
  O  O11  1  0.864  0.864  0.408  1.0
  O  O12  1  0.408  0.864  0.864  1.0
  O  O13  1  0.864  0.864  0.864  1.0
[/CIF]
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