The material structure described by Fe5CuO8 is Spinel-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, and edges with six equivalent Fe(2)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(2) and one Cu(1) atom to form distorted OFe3Cu trigonal pyramids that share corners with three equivalent O(1)Fe3Cu trigonal pyramids, corners with nine equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(1)Fe3Cu trigonal pyramids. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(2)Fe4 trigonal pyramids, corners with nine equivalent O(1)Fe3Cu trigonal pyramids, and edges with three equivalent O(2)Fe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.040
_cell_length_c   6.040
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   155.817
_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
  Fe  Fe0  1  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.872  0.384  0.872  1.0
  Fe  Fe2  1  0.872  0.872  0.384  1.0
  Fe  Fe3  1  0.384  0.872  0.872  1.0
  Fe  Fe4  1  0.872  0.872  0.872  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.637  0.637  0.637  1.0
  O  O7  1  0.090  0.637  0.637  1.0
  O  O8  1  0.637  0.637  0.090  1.0
  O  O9  1  0.637  0.090  0.637  1.0
  O  O10  1  0.117  0.648  0.117  1.0
  O  O11  1  0.117  0.117  0.648  1.0
  O  O12  1  0.648  0.117  0.117  1.0
  O  O13  1  0.117  0.117  0.117  1.0
[/CIF]
.
The material structure described by Fe5CuO8 is Spinel-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, and edges with six equivalent Fe(2)O6 octahedra. Cu(1) is bonded to four equivalent O(1) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(2) and one Cu(1) atom to form distorted OFe3Cu trigonal pyramids that share corners with three equivalent O(1)Fe3Cu trigonal pyramids, corners with nine equivalent O(2)Fe4 trigonal pyramids, and edges with three equivalent O(1)Fe3Cu trigonal pyramids. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share corners with three equivalent O(2)Fe4 trigonal pyramids, corners with nine equivalent O(1)Fe3Cu trigonal pyramids, and edges with three equivalent O(2)Fe4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.040
_cell_length_c   6.040
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   155.817
_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
  Fe  Fe0  1  0.250  0.250  0.250  1.0
  Fe  Fe1  1  0.872  0.384  0.872  1.0
  Fe  Fe2  1  0.872  0.872  0.384  1.0
  Fe  Fe3  1  0.384  0.872  0.872  1.0
  Fe  Fe4  1  0.872  0.872  0.872  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.637  0.637  0.637  1.0
  O  O7  1  0.090  0.637  0.637  1.0
  O  O8  1  0.637  0.637  0.090  1.0
  O  O9  1  0.637  0.090  0.637  1.0
  O  O10  1  0.117  0.648  0.117  1.0
  O  O11  1  0.117  0.117  0.648  1.0
  O  O12  1  0.648  0.117  0.117  1.0
  O  O13  1  0.117  0.117  0.117  1.0
[/CIF]
.