The material structure described by CeFe4(CuO4)3 crystallizes in the cubic Im-3 space group. Ce(1) is bonded to twelve equivalent O(1) atoms to form CeO12 cuboctahedra that share faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with two equivalent Ce(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to one Ce(1), two equivalent Fe(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OCeFe2Cu tetrahedra. is represented by the CIF file [CIF]
data_CeFe4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   6.490
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   210.430
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.695  0.835  0.530  1.0
  O  O9  1  0.695  0.165  0.860  1.0
  O  O10  1  0.305  0.835  0.140  1.0
  O  O11  1  0.305  0.165  0.470  1.0
  O  O12  1  0.835  0.530  0.695  1.0
  O  O13  1  0.165  0.860  0.695  1.0
  O  O14  1  0.835  0.140  0.305  1.0
  O  O15  1  0.165  0.470  0.305  1.0
  O  O16  1  0.530  0.695  0.835  1.0
  O  O17  1  0.860  0.695  0.165  1.0
  O  O18  1  0.140  0.305  0.835  1.0
  O  O19  1  0.470  0.305  0.165  1.0
[/CIF]
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The material structure described by CeFe4(CuO4)3 crystallizes in the cubic Im-3 space group. Ce(1) is bonded to twelve equivalent O(1) atoms to form CeO12 cuboctahedra that share faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with two equivalent Ce(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded to one Ce(1), two equivalent Fe(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OCeFe2Cu tetrahedra. is represented by the CIF file [CIF]
data_CeFe4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.490
_cell_length_b   6.490
_cell_length_c   6.490
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   210.430
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.000  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.695  0.835  0.530  1.0
  O  O9  1  0.695  0.165  0.860  1.0
  O  O10  1  0.305  0.835  0.140  1.0
  O  O11  1  0.305  0.165  0.470  1.0
  O  O12  1  0.835  0.530  0.695  1.0
  O  O13  1  0.165  0.860  0.695  1.0
  O  O14  1  0.835  0.140  0.305  1.0
  O  O15  1  0.165  0.470  0.305  1.0
  O  O16  1  0.530  0.695  0.835  1.0
  O  O17  1  0.860  0.695  0.165  1.0
  O  O18  1  0.140  0.305  0.835  1.0
  O  O19  1  0.470  0.305  0.165  1.0
[/CIF]
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