The crystal structure described by CeAlO3 crystallizes in the trigonal R-3c space group. Ce(1) is bonded to twelve equivalent O(1) atoms to form distorted CeO12 cuboctahedra that share corners with twelve equivalent Ce(1)O12 cuboctahedra, faces with six equivalent Ce(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra and faces with eight equivalent Ce(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. O(1) is bonded in a 2-coordinate geometry to four equivalent Ce(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_CeAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   5.310
_cell_length_c   5.310
_cell_angle_alpha   60.419
_cell_angle_beta   60.419
_cell_angle_gamma   60.419
_symmetry_Int_Tables_number   1
_cell_volume   106.893
_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
  Ce  Ce0  1  0.750  0.750  0.750  1.0
  Ce  Ce1  1  0.250  0.250  0.250  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.285  0.750  0.215  1.0
  O  O5  1  0.750  0.215  0.285  1.0
  O  O6  1  0.215  0.285  0.750  1.0
  O  O7  1  0.715  0.250  0.785  1.0
  O  O8  1  0.785  0.715  0.250  1.0
  O  O9  1  0.250  0.785  0.715  1.0
[/CIF]
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The crystal structure described by CeAlO3 crystallizes in the trigonal R-3c space group. Ce(1) is bonded to twelve equivalent O(1) atoms to form distorted CeO12 cuboctahedra that share corners with twelve equivalent Ce(1)O12 cuboctahedra, faces with six equivalent Ce(1)O12 cuboctahedra, and faces with eight equivalent Al(1)O6 octahedra. Al(1) is bonded to six equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Al(1)O6 octahedra and faces with eight equivalent Ce(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. O(1) is bonded in a 2-coordinate geometry to four equivalent Ce(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_CeAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   5.310
_cell_length_c   5.310
_cell_angle_alpha   60.419
_cell_angle_beta   60.419
_cell_angle_gamma   60.419
_symmetry_Int_Tables_number   1
_cell_volume   106.893
_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
  Ce  Ce0  1  0.750  0.750  0.750  1.0
  Ce  Ce1  1  0.250  0.250  0.250  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.285  0.750  0.215  1.0
  O  O5  1  0.750  0.215  0.285  1.0
  O  O6  1  0.215  0.285  0.750  1.0
  O  O7  1  0.715  0.250  0.785  1.0
  O  O8  1  0.785  0.715  0.250  1.0
  O  O9  1  0.250  0.785  0.715  1.0
[/CIF]
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