The crystal structure described by CeCrO3 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. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OCe2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CeCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   5.720
_cell_length_c   7.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.025
_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  0.485  0.059  0.250  1.0
  Ce  Ce1  1  0.985  0.441  0.750  1.0
  Ce  Ce2  1  0.015  0.559  0.250  1.0
  Ce  Ce3  1  0.515  0.941  0.750  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.098  0.029  0.750  1.0
  O  O9  1  0.699  0.201  0.551  1.0
  O  O10  1  0.699  0.201  0.949  1.0
  O  O11  1  0.199  0.299  0.449  1.0
  O  O12  1  0.199  0.299  0.051  1.0
  O  O13  1  0.598  0.471  0.250  1.0
  O  O14  1  0.402  0.529  0.750  1.0
  O  O15  1  0.801  0.701  0.949  1.0
  O  O16  1  0.801  0.701  0.551  1.0
  O  O17  1  0.301  0.799  0.051  1.0
  O  O18  1  0.301  0.799  0.449  1.0
  O  O19  1  0.902  0.971  0.250  1.0
[/CIF]
.
The crystal structure described by CeCrO3 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. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OCe2Cr2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CeCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   5.720
_cell_length_c   7.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.025
_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  0.485  0.059  0.250  1.0
  Ce  Ce1  1  0.985  0.441  0.750  1.0
  Ce  Ce2  1  0.015  0.559  0.250  1.0
  Ce  Ce3  1  0.515  0.941  0.750  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.000  0.000  0.500  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.098  0.029  0.750  1.0
  O  O9  1  0.699  0.201  0.551  1.0
  O  O10  1  0.699  0.201  0.949  1.0
  O  O11  1  0.199  0.299  0.449  1.0
  O  O12  1  0.199  0.299  0.051  1.0
  O  O13  1  0.598  0.471  0.250  1.0
  O  O14  1  0.402  0.529  0.750  1.0
  O  O15  1  0.801  0.701  0.949  1.0
  O  O16  1  0.801  0.701  0.551  1.0
  O  O17  1  0.301  0.799  0.051  1.0
  O  O18  1  0.301  0.799  0.449  1.0
  O  O19  1  0.902  0.971  0.250  1.0
[/CIF]
.