The material described by CoCrFeO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. 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 Cr(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. 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 Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Fe(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_CrFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   6.027
_cell_length_c   6.027
_cell_angle_alpha   119.919
_cell_angle_beta   119.343
_cell_angle_gamma   90.641
_symmetry_Int_Tables_number   1
_cell_volume   155.624
_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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.377  0.127  0.250  1.0
  Fe  Fe3  1  0.623  0.873  0.750  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.754  0.735  0.481  1.0
  O  O7  1  0.754  0.274  0.019  1.0
  O  O8  1  0.236  0.741  0.494  1.0
  O  O9  1  0.747  0.741  0.006  1.0
  O  O10  1  0.246  0.265  0.519  1.0
  O  O11  1  0.246  0.726  0.981  1.0
  O  O12  1  0.764  0.259  0.506  1.0
  O  O13  1  0.253  0.259  0.994  1.0
[/CIF]
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The material described by CoCrFeO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. 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 Cr(1)O6 octahedra and corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. 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 Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Cr(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Fe(1), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_CrFeCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   6.027
_cell_length_c   6.027
_cell_angle_alpha   119.919
_cell_angle_beta   119.343
_cell_angle_gamma   90.641
_symmetry_Int_Tables_number   1
_cell_volume   155.624
_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
  Cr  Cr0  1  0.500  0.500  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.377  0.127  0.250  1.0
  Fe  Fe3  1  0.623  0.873  0.750  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.754  0.735  0.481  1.0
  O  O7  1  0.754  0.274  0.019  1.0
  O  O8  1  0.236  0.741  0.494  1.0
  O  O9  1  0.747  0.741  0.006  1.0
  O  O10  1  0.246  0.265  0.519  1.0
  O  O11  1  0.246  0.726  0.981  1.0
  O  O12  1  0.764  0.259  0.506  1.0
  O  O13  1  0.253  0.259  0.994  1.0
[/CIF]
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