The material described by CoFe2O4 is Spinel 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 four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. 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 Co(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two 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 Co(1) atom. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OFe3Co trigonal pyramids. is represented by the CIF card [CIF]
data_Fe2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.933
_cell_length_c   5.933
_cell_angle_alpha   120.495
_cell_angle_beta   120.202
_cell_angle_gamma   89.397
_symmetry_Int_Tables_number   1
_cell_volume   146.881
_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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.127  0.377  0.750  1.0
  Co  Co5  1  0.873  0.623  0.250  1.0
  O  O6  1  0.718  0.247  0.472  1.0
  O  O7  1  0.264  0.243  0.479  1.0
  O  O8  1  0.264  0.785  0.021  1.0
  O  O9  1  0.725  0.753  0.972  1.0
  O  O10  1  0.275  0.247  0.028  1.0
  O  O11  1  0.736  0.215  0.979  1.0
  O  O12  1  0.282  0.753  0.528  1.0
  O  O13  1  0.736  0.757  0.521  1.0
[/CIF]
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The material described by CoFe2O4 is Spinel 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 four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. 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 Co(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two 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 Co(1) atom. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(1), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OFe3Co trigonal pyramids. is represented by the CIF card [CIF]
data_Fe2CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.933
_cell_length_c   5.933
_cell_angle_alpha   120.495
_cell_angle_beta   120.202
_cell_angle_gamma   89.397
_symmetry_Int_Tables_number   1
_cell_volume   146.881
_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  0.500  0.000  0.500  1.0
  Fe  Fe1  1  0.500  0.000  0.000  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.500  0.500  1.0
  Co  Co4  1  0.127  0.377  0.750  1.0
  Co  Co5  1  0.873  0.623  0.250  1.0
  O  O6  1  0.718  0.247  0.472  1.0
  O  O7  1  0.264  0.243  0.479  1.0
  O  O8  1  0.264  0.785  0.021  1.0
  O  O9  1  0.725  0.753  0.972  1.0
  O  O10  1  0.275  0.247  0.028  1.0
  O  O11  1  0.736  0.215  0.979  1.0
  O  O12  1  0.282  0.753  0.528  1.0
  O  O13  1  0.736  0.757  0.521  1.0
[/CIF]
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