The material structure described by BaCeO3 crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 22°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_BaCeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.209
_cell_length_b   6.209
_cell_length_c   6.209
_cell_angle_alpha   60.828
_cell_angle_beta   60.828
_cell_angle_gamma   60.828
_symmetry_Int_Tables_number   1
_cell_volume   172.445
_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
  Ba  Ba0  1  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ce  Ce3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.817  0.250  0.683  1.0
  O  O5  1  0.683  0.817  0.250  1.0
  O  O6  1  0.250  0.683  0.817  1.0
  O  O7  1  0.183  0.750  0.317  1.0
  O  O8  1  0.750  0.317  0.183  1.0
  O  O9  1  0.317  0.183  0.750  1.0
[/CIF]
.
The material structure described by BaCeO3 crystallizes in the trigonal R-3c space group. Ba(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 22°. O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_BaCeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.209
_cell_length_b   6.209
_cell_length_c   6.209
_cell_angle_alpha   60.828
_cell_angle_beta   60.828
_cell_angle_gamma   60.828
_symmetry_Int_Tables_number   1
_cell_volume   172.445
_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
  Ba  Ba0  1  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ce  Ce3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.817  0.250  0.683  1.0
  O  O5  1  0.683  0.817  0.250  1.0
  O  O6  1  0.250  0.683  0.817  1.0
  O  O7  1  0.183  0.750  0.317  1.0
  O  O8  1  0.750  0.317  0.183  1.0
  O  O9  1  0.317  0.183  0.750  1.0
[/CIF]
.