The material described by CeCdO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the second Ce site, Ce(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted hexagonal planar geometry to one O(2), one O(3), and four equivalent O(1) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1), one Ce(2), and two equivalent Cd(1) atoms to form a mixture of distorted edge and corner-sharing OCe2Cd2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ce(1), one Cd(1), and one Cd(2) atom to form a mixture of edge and corner-sharing OCe2Cd2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ce(2), one Cd(1), and one Cd(2) atom to form a mixture of edge and corner-sharing OCe2Cd2 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Cd(2) atom. is represented by the CIF card [CIF]
data_CeCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.002
_cell_length_c   8.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.435
_symmetry_Int_Tables_number   1
_cell_volume   305.729
_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  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.500  0.500  0.500  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.500  1.0
  Cd  Cd4  1  0.464  0.965  0.250  1.0
  Cd  Cd5  1  0.536  0.035  0.750  1.0
  Cd  Cd6  1  0.016  0.516  0.250  1.0
  Cd  Cd7  1  0.984  0.484  0.750  1.0
  O  O8  1  0.661  0.839  0.999  1.0
  O  O9  1  0.339  0.161  0.001  1.0
  O  O10  1  0.339  0.161  0.499  1.0
  O  O11  1  0.661  0.839  0.501  1.0
  O  O12  1  0.397  0.560  0.250  1.0
  O  O13  1  0.603  0.440  0.750  1.0
  O  O14  1  0.059  0.897  0.250  1.0
  O  O15  1  0.941  0.103  0.750  1.0
  O  O16  1  0.826  0.326  0.067  1.0
  O  O17  1  0.174  0.674  0.933  1.0
  O  O18  1  0.174  0.674  0.567  1.0
  O  O19  1  0.826  0.326  0.433  1.0
[/CIF]
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The material described by CeCdO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. In the second Ce site, Ce(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles range from 37-44°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted hexagonal planar geometry to one O(2), one O(3), and four equivalent O(1) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ce(1), one Ce(2), and two equivalent Cd(1) atoms to form a mixture of distorted edge and corner-sharing OCe2Cd2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ce(1), one Cd(1), and one Cd(2) atom to form a mixture of edge and corner-sharing OCe2Cd2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ce(2), one Cd(1), and one Cd(2) atom to form a mixture of edge and corner-sharing OCe2Cd2 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Cd(2) atom. is represented by the CIF card [CIF]
data_CeCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.002
_cell_length_c   8.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.435
_symmetry_Int_Tables_number   1
_cell_volume   305.729
_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  0.500  0.500  0.000  1.0
  Ce  Ce1  1  0.500  0.500  0.500  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.500  1.0
  Cd  Cd4  1  0.464  0.965  0.250  1.0
  Cd  Cd5  1  0.536  0.035  0.750  1.0
  Cd  Cd6  1  0.016  0.516  0.250  1.0
  Cd  Cd7  1  0.984  0.484  0.750  1.0
  O  O8  1  0.661  0.839  0.999  1.0
  O  O9  1  0.339  0.161  0.001  1.0
  O  O10  1  0.339  0.161  0.499  1.0
  O  O11  1  0.661  0.839  0.501  1.0
  O  O12  1  0.397  0.560  0.250  1.0
  O  O13  1  0.603  0.440  0.750  1.0
  O  O14  1  0.059  0.897  0.250  1.0
  O  O15  1  0.941  0.103  0.750  1.0
  O  O16  1  0.826  0.326  0.067  1.0
  O  O17  1  0.174  0.674  0.933  1.0
  O  O18  1  0.174  0.674  0.567  1.0
  O  O19  1  0.826  0.326  0.433  1.0
[/CIF]
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