The structure described by CeYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. Ce(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Ce(1) atom. In the second O site, O(2) is bonded to two equivalent Yb(1) and two equivalent Ce(1) atoms to form distorted corner-sharing OYb2Ce2 trigonal pyramids. is represented by the CIF file [CIF]
data_YbCeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.747
_cell_length_b   5.938
_cell_length_c   8.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.350
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.500  0.500  0.000  1.0
  Yb  Yb2  1  0.000  0.000  0.500  1.0
  Yb  Yb3  1  0.500  0.500  0.500  1.0
  Ce  Ce4  1  0.016  0.452  0.250  1.0
  Ce  Ce5  1  0.984  0.548  0.750  1.0
  Ce  Ce6  1  0.516  0.048  0.750  1.0
  Ce  Ce7  1  0.484  0.952  0.250  1.0
  O  O8  1  0.329  0.174  0.082  1.0
  O  O9  1  0.671  0.826  0.918  1.0
  O  O10  1  0.829  0.326  0.918  1.0
  O  O11  1  0.671  0.826  0.582  1.0
  O  O12  1  0.171  0.674  0.082  1.0
  O  O13  1  0.329  0.174  0.418  1.0
  O  O14  1  0.171  0.674  0.418  1.0
  O  O15  1  0.829  0.326  0.582  1.0
  O  O16  1  0.660  0.596  0.250  1.0
  O  O17  1  0.340  0.404  0.750  1.0
  O  O18  1  0.160  0.904  0.750  1.0
  O  O19  1  0.840  0.096  0.250  1.0
[/CIF]
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The structure described by CeYbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing YbO6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. Ce(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Ce(1) atom. In the second O site, O(2) is bonded to two equivalent Yb(1) and two equivalent Ce(1) atoms to form distorted corner-sharing OYb2Ce2 trigonal pyramids. is represented by the CIF file [CIF]
data_YbCeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.747
_cell_length_b   5.938
_cell_length_c   8.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.350
_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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Yb  Yb1  1  0.500  0.500  0.000  1.0
  Yb  Yb2  1  0.000  0.000  0.500  1.0
  Yb  Yb3  1  0.500  0.500  0.500  1.0
  Ce  Ce4  1  0.016  0.452  0.250  1.0
  Ce  Ce5  1  0.984  0.548  0.750  1.0
  Ce  Ce6  1  0.516  0.048  0.750  1.0
  Ce  Ce7  1  0.484  0.952  0.250  1.0
  O  O8  1  0.329  0.174  0.082  1.0
  O  O9  1  0.671  0.826  0.918  1.0
  O  O10  1  0.829  0.326  0.918  1.0
  O  O11  1  0.671  0.826  0.582  1.0
  O  O12  1  0.171  0.674  0.082  1.0
  O  O13  1  0.329  0.174  0.418  1.0
  O  O14  1  0.171  0.674  0.418  1.0
  O  O15  1  0.829  0.326  0.582  1.0
  O  O16  1  0.660  0.596  0.250  1.0
  O  O17  1  0.340  0.404  0.750  1.0
  O  O18  1  0.160  0.904  0.750  1.0
  O  O19  1  0.840  0.096  0.250  1.0
[/CIF]
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