The material described by FeCr2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with six equivalent Cr(2)O6 octahedra and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-69°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Cr(2)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 one Cr(1), one Cr(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   5.994
_cell_length_c   5.994
_cell_angle_alpha   118.505
_cell_angle_beta   116.711
_cell_angle_gamma   94.203
_symmetry_Int_Tables_number   1
_cell_volume   157.269
_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  0.621  0.871  0.750  1.0
  Cr  Cr1  1  0.379  0.129  0.250  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.249  0.736  0.987  1.0
  O  O7  1  0.774  0.240  0.534  1.0
  O  O8  1  0.249  0.262  0.513  1.0
  O  O9  1  0.206  0.240  0.966  1.0
  O  O10  1  0.794  0.760  0.034  1.0
  O  O11  1  0.751  0.738  0.487  1.0
  O  O12  1  0.226  0.760  0.466  1.0
  O  O13  1  0.751  0.264  0.013  1.0
[/CIF]
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The material described by FeCr2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with six equivalent Cr(2)O6 octahedra and corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-69°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Cr(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Cr(2)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 one Cr(1), one Cr(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(2), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   5.994
_cell_length_c   5.994
_cell_angle_alpha   118.505
_cell_angle_beta   116.711
_cell_angle_gamma   94.203
_symmetry_Int_Tables_number   1
_cell_volume   157.269
_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  0.621  0.871  0.750  1.0
  Cr  Cr1  1  0.379  0.129  0.250  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.000  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.249  0.736  0.987  1.0
  O  O7  1  0.774  0.240  0.534  1.0
  O  O8  1  0.249  0.262  0.513  1.0
  O  O9  1  0.206  0.240  0.966  1.0
  O  O10  1  0.794  0.760  0.034  1.0
  O  O11  1  0.751  0.738  0.487  1.0
  O  O12  1  0.226  0.760  0.466  1.0
  O  O13  1  0.751  0.264  0.013  1.0
[/CIF]
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