The compound described by CrFe2O5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Cr(1) and three equivalent Fe(1) atoms to form distorted OCrFe3 trigonal pyramids that share  a cornercorner with one O(3)Cr2Fe2 trigonal pyramid, corners with three equivalent O(2)CrFe3 trigonal pyramids, edges with two equivalent O(3)Cr2Fe2 trigonal pyramids, and edges with two equivalent O(2)CrFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Fe(1) atoms to form distorted OCr2Fe2 trigonal pyramids that share corners with two equivalent O(3)Cr2Fe2 trigonal pyramids, corners with two equivalent O(2)CrFe3 trigonal pyramids, and edges with four equivalent O(2)CrFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_CrFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   5.686
_cell_length_c   7.067
_cell_angle_alpha   70.694
_cell_angle_beta   70.694
_cell_angle_gamma   53.509
_symmetry_Int_Tables_number   1
_cell_volume   170.618
_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  0.000  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.637  0.626  0.775  1.0
  Fe  Fe3  1  0.626  0.637  0.275  1.0
  Fe  Fe4  1  0.374  0.363  0.725  1.0
  Fe  Fe5  1  0.363  0.374  0.225  1.0
  O  O6  1  0.672  0.965  0.647  1.0
  O  O7  1  0.965  0.672  0.147  1.0
  O  O8  1  0.747  0.417  0.550  1.0
  O  O9  1  0.186  0.814  0.750  1.0
  O  O10  1  0.583  0.253  0.950  1.0
  O  O11  1  0.417  0.747  0.050  1.0
  O  O12  1  0.814  0.186  0.250  1.0
  O  O13  1  0.253  0.583  0.450  1.0
  O  O14  1  0.035  0.328  0.853  1.0
  O  O15  1  0.328  0.035  0.353  1.0
[/CIF]
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The compound described by CrFe2O5 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to one Cr(1) and three equivalent Fe(1) atoms to form distorted OCrFe3 trigonal pyramids that share  a cornercorner with one O(3)Cr2Fe2 trigonal pyramid, corners with three equivalent O(2)CrFe3 trigonal pyramids, edges with two equivalent O(3)Cr2Fe2 trigonal pyramids, and edges with two equivalent O(2)CrFe3 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Cr(1) and two equivalent Fe(1) atoms to form distorted OCr2Fe2 trigonal pyramids that share corners with two equivalent O(3)Cr2Fe2 trigonal pyramids, corners with two equivalent O(2)CrFe3 trigonal pyramids, and edges with four equivalent O(2)CrFe3 trigonal pyramids. is represented by the CIF file [CIF]
data_CrFe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.686
_cell_length_b   5.686
_cell_length_c   7.067
_cell_angle_alpha   70.694
_cell_angle_beta   70.694
_cell_angle_gamma   53.509
_symmetry_Int_Tables_number   1
_cell_volume   170.618
_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  0.000  0.000  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.637  0.626  0.775  1.0
  Fe  Fe3  1  0.626  0.637  0.275  1.0
  Fe  Fe4  1  0.374  0.363  0.725  1.0
  Fe  Fe5  1  0.363  0.374  0.225  1.0
  O  O6  1  0.672  0.965  0.647  1.0
  O  O7  1  0.965  0.672  0.147  1.0
  O  O8  1  0.747  0.417  0.550  1.0
  O  O9  1  0.186  0.814  0.750  1.0
  O  O10  1  0.583  0.253  0.950  1.0
  O  O11  1  0.417  0.747  0.050  1.0
  O  O12  1  0.814  0.186  0.250  1.0
  O  O13  1  0.253  0.583  0.450  1.0
  O  O14  1  0.035  0.328  0.853  1.0
  O  O15  1  0.328  0.035  0.353  1.0
[/CIF]
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