The material structure described by CdFe2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. Cd(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CdO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   6.319
_cell_length_c   6.316
_cell_angle_alpha   56.935
_cell_angle_beta   61.505
_cell_angle_gamma   61.463
_symmetry_Int_Tables_number   1
_cell_volume   169.039
_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
  Cd  Cd0  1  0.126  0.125  0.126  1.0
  Cd  Cd1  1  0.874  0.875  0.874  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.728  0.732  0.734  1.0
  O  O7  1  0.267  0.271  0.696  1.0
  O  O8  1  0.267  0.695  0.271  1.0
  O  O9  1  0.695  0.266  0.267  1.0
  O  O10  1  0.733  0.305  0.729  1.0
  O  O11  1  0.305  0.734  0.733  1.0
  O  O12  1  0.272  0.268  0.266  1.0
  O  O13  1  0.733  0.729  0.304  1.0
[/CIF]
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The material structure described by CdFe2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Cd(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. Cd(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CdO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), one Fe(3), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(1), one Fe(2), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the third O site, O(3) is bonded to one Fe(2), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(3), one Fe(4), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing OCdFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cd(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   6.319
_cell_length_c   6.316
_cell_angle_alpha   56.935
_cell_angle_beta   61.505
_cell_angle_gamma   61.463
_symmetry_Int_Tables_number   1
_cell_volume   169.039
_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
  Cd  Cd0  1  0.126  0.125  0.126  1.0
  Cd  Cd1  1  0.874  0.875  0.874  1.0
  Fe  Fe2  1  0.500  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.728  0.732  0.734  1.0
  O  O7  1  0.267  0.271  0.696  1.0
  O  O8  1  0.267  0.695  0.271  1.0
  O  O9  1  0.695  0.266  0.267  1.0
  O  O10  1  0.733  0.305  0.729  1.0
  O  O11  1  0.305  0.734  0.733  1.0
  O  O12  1  0.272  0.268  0.266  1.0
  O  O13  1  0.733  0.729  0.304  1.0
[/CIF]
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