The compound described by FeCr2O4 is Spinel structured and crystallizes in the tetragonal I4_122 space group. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. Fe(1) is bonded to four equivalent O(1) atoms to form FeO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. O(1) is bonded to three equivalent Cr(1) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OCr3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_Cr2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.912
_cell_length_b   5.912
_cell_length_c   5.969
_cell_angle_alpha   59.682
_cell_angle_beta   59.685
_cell_angle_gamma   60.638
_symmetry_Int_Tables_number   1
_cell_volume   147.504
_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  1.000  0.500  1.0
  Cr  Cr1  1  1.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.875  0.875  0.875  1.0
  Fe  Fe5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.742  0.740  0.732  1.0
  O  O7  1  0.258  0.260  0.714  1.0
  O  O8  1  0.268  0.714  0.260  1.0
  O  O9  1  0.714  0.268  0.258  1.0
  O  O10  1  0.732  0.286  0.742  1.0
  O  O11  1  0.286  0.732  0.740  1.0
  O  O12  1  0.260  0.258  0.268  1.0
  O  O13  1  0.740  0.742  0.286  1.0
[/CIF]
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The compound described by FeCr2O4 is Spinel structured and crystallizes in the tetragonal I4_122 space group. Cr(1) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. Fe(1) is bonded to four equivalent O(1) atoms to form FeO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. O(1) is bonded to three equivalent Cr(1) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing OCr3Fe trigonal pyramids. is represented by the CIF card [CIF]
data_Cr2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.912
_cell_length_b   5.912
_cell_length_c   5.969
_cell_angle_alpha   59.682
_cell_angle_beta   59.685
_cell_angle_gamma   60.638
_symmetry_Int_Tables_number   1
_cell_volume   147.504
_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  1.000  0.500  1.0
  Cr  Cr1  1  1.000  0.500  0.500  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  Fe  Fe4  1  0.875  0.875  0.875  1.0
  Fe  Fe5  1  0.125  0.125  0.125  1.0
  O  O6  1  0.742  0.740  0.732  1.0
  O  O7  1  0.258  0.260  0.714  1.0
  O  O8  1  0.268  0.714  0.260  1.0
  O  O9  1  0.714  0.268  0.258  1.0
  O  O10  1  0.732  0.286  0.742  1.0
  O  O11  1  0.286  0.732  0.740  1.0
  O  O12  1  0.260  0.258  0.268  1.0
  O  O13  1  0.740  0.742  0.286  1.0
[/CIF]
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