The crystal structure described by CoFe2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), two equivalent Fe(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OFe3Co trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Fe2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.960
_cell_length_b   5.960
_cell_length_c   5.960
_cell_angle_alpha   119.972
_cell_angle_beta   119.807
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   149.958
_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
  Fe  Fe0  1  0.623  0.873  0.750  1.0
  Fe  Fe1  1  0.377  0.127  0.250  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.231  0.254  0.523  1.0
  O  O7  1  0.790  0.256  0.534  1.0
  O  O8  1  0.231  0.709  0.977  1.0
  O  O9  1  0.222  0.256  0.966  1.0
  O  O10  1  0.778  0.744  0.034  1.0
  O  O11  1  0.769  0.291  0.023  1.0
  O  O12  1  0.210  0.744  0.466  1.0
  O  O13  1  0.769  0.746  0.477  1.0
[/CIF]
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The crystal structure described by CoFe2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Fe(2)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), two equivalent Fe(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OFe3Co trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Fe2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.960
_cell_length_b   5.960
_cell_length_c   5.960
_cell_angle_alpha   119.972
_cell_angle_beta   119.807
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   149.958
_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
  Fe  Fe0  1  0.623  0.873  0.750  1.0
  Fe  Fe1  1  0.377  0.127  0.250  1.0
  Fe  Fe2  1  0.000  0.500  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.231  0.254  0.523  1.0
  O  O7  1  0.790  0.256  0.534  1.0
  O  O8  1  0.231  0.709  0.977  1.0
  O  O9  1  0.222  0.256  0.966  1.0
  O  O10  1  0.778  0.744  0.034  1.0
  O  O11  1  0.769  0.291  0.023  1.0
  O  O12  1  0.210  0.744  0.466  1.0
  O  O13  1  0.769  0.746  0.477  1.0
[/CIF]
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