The compound described by Fe5CuO8 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4) and three equivalent O(3) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(2) and three equivalent O(3) 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 one O(1) and three equivalent O(2) atoms to form CuO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are four 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 corner-sharing OFe3Cu trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(2), and one Cu(1) atom. In the third O site, O(3) is bonded to one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(4)Fe4 trigonal pyramid, corners with two equivalent O(1)Fe3Cu trigonal pyramids, corners with two equivalent O(3)Fe4 trigonal pyramids,  an edgeedge with one O(4)Fe4 trigonal pyramid, and edges with two equivalent O(3)Fe4 trigonal pyramids. In the fourth O site, O(4) 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(1)Fe3Cu trigonal pyramids, corners with three equivalent O(3)Fe4 trigonal pyramids, and edges with three equivalent O(3)Fe4 trigonal pyramids. is represented by the CIF file [CIF]
data_Fe5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   5.991
_cell_length_c   5.990
_cell_angle_alpha   60.343
_cell_angle_beta   60.358
_cell_angle_gamma   60.288
_symmetry_Int_Tables_number   1
_cell_volume   153.138
_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  1.000  1.000  0.999  1.0
  Fe  Fe1  1  0.134  0.622  0.622  1.0
  Fe  Fe2  1  0.622  0.134  0.622  1.0
  Fe  Fe3  1  0.622  0.622  0.134  1.0
  Fe  Fe4  1  0.623  0.623  0.623  1.0
  Cu  Cu5  1  0.249  0.249  0.249  1.0
  O  O6  1  0.386  0.386  0.386  1.0
  O  O7  1  0.391  0.391  0.839  1.0
  O  O8  1  0.392  0.838  0.392  1.0
  O  O9  1  0.838  0.392  0.391  1.0
  O  O10  1  0.398  0.864  0.864  1.0
  O  O11  1  0.864  0.399  0.864  1.0
  O  O12  1  0.865  0.864  0.398  1.0
  O  O13  1  0.867  0.867  0.867  1.0
[/CIF]
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The compound described by Fe5CuO8 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4) and three equivalent O(3) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(2) and three equivalent O(3) 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 one O(1) and three equivalent O(2) atoms to form CuO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are four 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 corner-sharing OFe3Cu trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(2), and one Cu(1) atom. In the third O site, O(3) is bonded to one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(4)Fe4 trigonal pyramid, corners with two equivalent O(1)Fe3Cu trigonal pyramids, corners with two equivalent O(3)Fe4 trigonal pyramids,  an edgeedge with one O(4)Fe4 trigonal pyramid, and edges with two equivalent O(3)Fe4 trigonal pyramids. In the fourth O site, O(4) 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(1)Fe3Cu trigonal pyramids, corners with three equivalent O(3)Fe4 trigonal pyramids, and edges with three equivalent O(3)Fe4 trigonal pyramids. is represented by the CIF file [CIF]
data_Fe5CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   5.991
_cell_length_c   5.990
_cell_angle_alpha   60.343
_cell_angle_beta   60.358
_cell_angle_gamma   60.288
_symmetry_Int_Tables_number   1
_cell_volume   153.138
_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  1.000  1.000  0.999  1.0
  Fe  Fe1  1  0.134  0.622  0.622  1.0
  Fe  Fe2  1  0.622  0.134  0.622  1.0
  Fe  Fe3  1  0.622  0.622  0.134  1.0
  Fe  Fe4  1  0.623  0.623  0.623  1.0
  Cu  Cu5  1  0.249  0.249  0.249  1.0
  O  O6  1  0.386  0.386  0.386  1.0
  O  O7  1  0.391  0.391  0.839  1.0
  O  O8  1  0.392  0.838  0.392  1.0
  O  O9  1  0.838  0.392  0.391  1.0
  O  O10  1  0.398  0.864  0.864  1.0
  O  O11  1  0.864  0.399  0.864  1.0
  O  O12  1  0.865  0.864  0.398  1.0
  O  O13  1  0.867  0.867  0.867  1.0
[/CIF]
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