The compound described by CeFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Fe(1) atoms to form distorted corner-sharing OCe2Fe2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.784
_cell_length_c   7.777
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.925
_cell_formula_units_Z   4
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  0.025  0.416  0.750  1.0
  Ce  Ce1  1  0.475  0.916  0.750  1.0
  Ce  Ce2  1  0.525  0.084  0.250  1.0
  Ce  Ce3  1  0.975  0.584  0.250  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  0.000  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.136  0.953  0.250  1.0
  O  O9  1  0.182  0.681  0.568  1.0
  O  O10  1  0.182  0.681  0.932  1.0
  O  O11  1  0.318  0.181  0.568  1.0
  O  O12  1  0.318  0.181  0.932  1.0
  O  O13  1  0.364  0.453  0.250  1.0
  O  O14  1  0.636  0.547  0.750  1.0
  O  O15  1  0.682  0.819  0.068  1.0
  O  O16  1  0.682  0.819  0.432  1.0
  O  O17  1  0.818  0.319  0.068  1.0
  O  O18  1  0.818  0.319  0.432  1.0
  O  O19  1  0.864  0.047  0.750  1.0
[/CIF]
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The compound described by CeFeO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Fe(1) atoms to form distorted corner-sharing OCe2Fe2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.467
_cell_length_b   5.784
_cell_length_c   7.777
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.925
_cell_formula_units_Z   4
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  0.025  0.416  0.750  1.0
  Ce  Ce1  1  0.475  0.916  0.750  1.0
  Ce  Ce2  1  0.525  0.084  0.250  1.0
  Ce  Ce3  1  0.975  0.584  0.250  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.500  0.000  1.0
  Fe  Fe7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.136  0.953  0.250  1.0
  O  O9  1  0.182  0.681  0.568  1.0
  O  O10  1  0.182  0.681  0.932  1.0
  O  O11  1  0.318  0.181  0.568  1.0
  O  O12  1  0.318  0.181  0.932  1.0
  O  O13  1  0.364  0.453  0.250  1.0
  O  O14  1  0.636  0.547  0.750  1.0
  O  O15  1  0.682  0.819  0.068  1.0
  O  O16  1  0.682  0.819  0.432  1.0
  O  O17  1  0.818  0.319  0.068  1.0
  O  O18  1  0.818  0.319  0.432  1.0
  O  O19  1  0.864  0.047  0.750  1.0
[/CIF]
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