The material structure described by CrFe2O5 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1) and three equivalent Fe(1) atoms to form OCrFe3 trigonal pyramids that share  a cornercorner with one O(3)Cr2Fe2 tetrahedra, corners with three equivalent O(1)CrFe3 trigonal pyramids, edges with two equivalent O(3)Cr2Fe2 tetrahedra, and edges with two equivalent O(1)CrFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Fe(1) atoms to form distorted OCr2Fe2 tetrahedra that share corners with two equivalent O(3)Cr2Fe2 tetrahedra, corners with two equivalent O(1)CrFe3 trigonal pyramids, and edges with four equivalent O(1)CrFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_CrFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   5.320
_cell_length_c   9.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.427
_symmetry_Int_Tables_number   1
_cell_volume   185.782
_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  0.816  0.184  0.250  1.0
  Cr  Cr1  1  0.184  0.816  0.750  1.0
  Fe  Fe2  1  0.861  0.139  0.562  1.0
  Fe  Fe3  1  0.861  0.139  0.938  1.0
  Fe  Fe4  1  0.139  0.861  0.438  1.0
  Fe  Fe5  1  0.139  0.861  0.062  1.0
  O  O6  1  0.695  0.305  0.417  1.0
  O  O7  1  0.695  0.305  0.083  1.0
  O  O8  1  0.951  0.049  0.118  1.0
  O  O9  1  0.951  0.049  0.382  1.0
  O  O10  1  0.749  0.251  0.750  1.0
  O  O11  1  0.251  0.749  0.250  1.0
  O  O12  1  0.049  0.951  0.618  1.0
  O  O13  1  0.305  0.695  0.583  1.0
  O  O14  1  0.305  0.695  0.917  1.0
  O  O15  1  0.049  0.951  0.882  1.0
[/CIF]
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The material structure described by CrFe2O5 crystallizes in the orthorhombic Cmcm space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1) and three equivalent Fe(1) atoms to form OCrFe3 trigonal pyramids that share  a cornercorner with one O(3)Cr2Fe2 tetrahedra, corners with three equivalent O(1)CrFe3 trigonal pyramids, edges with two equivalent O(3)Cr2Fe2 tetrahedra, and edges with two equivalent O(1)CrFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Cr(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Fe(1) atoms to form distorted OCr2Fe2 tetrahedra that share corners with two equivalent O(3)Cr2Fe2 tetrahedra, corners with two equivalent O(1)CrFe3 trigonal pyramids, and edges with four equivalent O(1)CrFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_CrFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   5.320
_cell_length_c   9.893
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.427
_symmetry_Int_Tables_number   1
_cell_volume   185.782
_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  0.816  0.184  0.250  1.0
  Cr  Cr1  1  0.184  0.816  0.750  1.0
  Fe  Fe2  1  0.861  0.139  0.562  1.0
  Fe  Fe3  1  0.861  0.139  0.938  1.0
  Fe  Fe4  1  0.139  0.861  0.438  1.0
  Fe  Fe5  1  0.139  0.861  0.062  1.0
  O  O6  1  0.695  0.305  0.417  1.0
  O  O7  1  0.695  0.305  0.083  1.0
  O  O8  1  0.951  0.049  0.118  1.0
  O  O9  1  0.951  0.049  0.382  1.0
  O  O10  1  0.749  0.251  0.750  1.0
  O  O11  1  0.251  0.749  0.250  1.0
  O  O12  1  0.049  0.951  0.618  1.0
  O  O13  1  0.305  0.695  0.583  1.0
  O  O14  1  0.305  0.695  0.917  1.0
  O  O15  1  0.049  0.951  0.882  1.0
[/CIF]
.