The structure described by Fe4NiCuO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Cu(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Ni(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Fe4CuNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   5.913
_cell_length_c   5.962
_cell_angle_alpha   90.000
_cell_angle_beta   60.378
_cell_angle_gamma   119.182
_symmetry_Int_Tables_number   1
_cell_volume   153.013
_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  0.268  0.135  0.116  1.0
  Fe  Fe1  1  0.732  0.865  0.884  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.023  0.745  0.238  1.0
  O  O7  1  0.991  0.259  0.254  1.0
  O  O8  1  0.525  0.272  0.723  1.0
  O  O9  1  0.525  0.272  0.252  1.0
  O  O10  1  0.977  0.255  0.762  1.0
  O  O11  1  0.009  0.741  0.746  1.0
  O  O12  1  0.475  0.728  0.277  1.0
  O  O13  1  0.475  0.728  0.748  1.0
[/CIF]
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The structure described by Fe4NiCuO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Cu(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Ni(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Ni(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Fe4CuNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   5.913
_cell_length_c   5.962
_cell_angle_alpha   90.000
_cell_angle_beta   60.378
_cell_angle_gamma   119.182
_symmetry_Int_Tables_number   1
_cell_volume   153.013
_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  0.268  0.135  0.116  1.0
  Fe  Fe1  1  0.732  0.865  0.884  1.0
  Fe  Fe2  1  0.000  0.500  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.023  0.745  0.238  1.0
  O  O7  1  0.991  0.259  0.254  1.0
  O  O8  1  0.525  0.272  0.723  1.0
  O  O9  1  0.525  0.272  0.252  1.0
  O  O10  1  0.977  0.255  0.762  1.0
  O  O11  1  0.009  0.741  0.746  1.0
  O  O12  1  0.475  0.728  0.277  1.0
  O  O13  1  0.475  0.728  0.748  1.0
[/CIF]
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