The structure described by MnFe4CuO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, and edges with six equivalent Fe(1)O6 octahedra. Cu(1) is bonded to four equivalent O(2) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Fe(1)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 one Mn(1) and three equivalent Fe(1) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(1)MnFe3 trigonal pyramids, corners with nine equivalent O(2)Fe3Cu trigonal pyramids, and edges with three equivalent O(1)MnFe3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(1) and one Cu(1) atom to form distorted OFe3Cu trigonal pyramids that share corners with three equivalent O(2)Fe3Cu trigonal pyramids, corners with nine equivalent O(1)MnFe3 trigonal pyramids, and edges with three equivalent O(2)Fe3Cu trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFe4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.083
_cell_length_b   6.083
_cell_length_c   6.083
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   159.134
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.125  0.625  0.625  1.0
  Fe  Fe2  1  0.625  0.125  0.625  1.0
  Fe  Fe3  1  0.625  0.625  0.125  1.0
  Fe  Fe4  1  0.625  0.625  0.625  1.0
  Cu  Cu5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.415  0.862  0.862  1.0
  O  O7  1  0.862  0.415  0.862  1.0
  O  O8  1  0.862  0.862  0.415  1.0
  O  O9  1  0.862  0.862  0.862  1.0
  O  O10  1  0.843  0.386  0.386  1.0
  O  O11  1  0.386  0.843  0.386  1.0
  O  O12  1  0.386  0.386  0.843  1.0
  O  O13  1  0.386  0.386  0.386  1.0
[/CIF]
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The structure described by MnFe4CuO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Mn(1) is bonded to four equivalent O(1) atoms to form MnO4 tetrahedra that share corners with twelve equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, and edges with six equivalent Fe(1)O6 octahedra. Cu(1) is bonded to four equivalent O(2) atoms to form CuO4 tetrahedra that share corners with twelve equivalent Fe(1)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 one Mn(1) and three equivalent Fe(1) atoms to form distorted OMnFe3 trigonal pyramids that share corners with three equivalent O(1)MnFe3 trigonal pyramids, corners with nine equivalent O(2)Fe3Cu trigonal pyramids, and edges with three equivalent O(1)MnFe3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(1) and one Cu(1) atom to form distorted OFe3Cu trigonal pyramids that share corners with three equivalent O(2)Fe3Cu trigonal pyramids, corners with nine equivalent O(1)MnFe3 trigonal pyramids, and edges with three equivalent O(2)Fe3Cu trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnFe4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.083
_cell_length_b   6.083
_cell_length_c   6.083
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   159.134
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.125  0.625  0.625  1.0
  Fe  Fe2  1  0.625  0.125  0.625  1.0
  Fe  Fe3  1  0.625  0.625  0.125  1.0
  Fe  Fe4  1  0.625  0.625  0.625  1.0
  Cu  Cu5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.415  0.862  0.862  1.0
  O  O7  1  0.862  0.415  0.862  1.0
  O  O8  1  0.862  0.862  0.415  1.0
  O  O9  1  0.862  0.862  0.862  1.0
  O  O10  1  0.843  0.386  0.386  1.0
  O  O11  1  0.386  0.843  0.386  1.0
  O  O12  1  0.386  0.386  0.843  1.0
  O  O13  1  0.386  0.386  0.386  1.0
[/CIF]
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