The crystal structure described by CePbO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Pb(1) atoms to form a mixture of corner and edge-sharing OCe2Pb2 tetrahedra. In the second O site, O(2) is bonded to one Ce(1), one Ce(2), and two equivalent Pb(1) atoms to form a mixture of corner and edge-sharing OCe2Pb2 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.859
_cell_length_b   6.859
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.912
_symmetry_Int_Tables_number   1
_cell_volume   361.134
_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  0.549  0.549  0.750  1.0
  Ce  Ce1  1  0.451  0.451  0.250  1.0
  Ce  Ce2  1  0.971  0.971  0.750  1.0
  Ce  Ce3  1  0.029  0.029  0.250  1.0
  Pb  Pb4  1  0.500  0.000  0.000  1.0
  Pb  Pb5  1  0.500  0.000  0.500  1.0
  Pb  Pb6  1  0.000  0.500  0.000  1.0
  Pb  Pb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.371  0.629  0.000  1.0
  O  O9  1  0.629  0.371  0.000  1.0
  O  O10  1  0.629  0.371  0.500  1.0
  O  O11  1  0.371  0.629  0.500  1.0
  O  O12  1  0.632  0.882  0.750  1.0
  O  O13  1  0.368  0.118  0.250  1.0
  O  O14  1  0.882  0.632  0.750  1.0
  O  O15  1  0.118  0.368  0.250  1.0
  O  O16  1  0.143  0.143  0.936  1.0
  O  O17  1  0.857  0.857  0.064  1.0
  O  O18  1  0.857  0.857  0.436  1.0
  O  O19  1  0.143  0.143  0.564  1.0
[/CIF]
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The crystal structure described by CePbO3 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ce(1) and two equivalent Pb(1) atoms to form a mixture of corner and edge-sharing OCe2Pb2 tetrahedra. In the second O site, O(2) is bonded to one Ce(1), one Ce(2), and two equivalent Pb(1) atoms to form a mixture of corner and edge-sharing OCe2Pb2 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CePbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.859
_cell_length_b   6.859
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.912
_symmetry_Int_Tables_number   1
_cell_volume   361.134
_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  0.549  0.549  0.750  1.0
  Ce  Ce1  1  0.451  0.451  0.250  1.0
  Ce  Ce2  1  0.971  0.971  0.750  1.0
  Ce  Ce3  1  0.029  0.029  0.250  1.0
  Pb  Pb4  1  0.500  0.000  0.000  1.0
  Pb  Pb5  1  0.500  0.000  0.500  1.0
  Pb  Pb6  1  0.000  0.500  0.000  1.0
  Pb  Pb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.371  0.629  0.000  1.0
  O  O9  1  0.629  0.371  0.000  1.0
  O  O10  1  0.629  0.371  0.500  1.0
  O  O11  1  0.371  0.629  0.500  1.0
  O  O12  1  0.632  0.882  0.750  1.0
  O  O13  1  0.368  0.118  0.250  1.0
  O  O14  1  0.882  0.632  0.750  1.0
  O  O15  1  0.118  0.368  0.250  1.0
  O  O16  1  0.143  0.143  0.936  1.0
  O  O17  1  0.857  0.857  0.064  1.0
  O  O18  1  0.857  0.857  0.436  1.0
  O  O19  1  0.143  0.143  0.564  1.0
[/CIF]
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