The structure described by CeGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ga(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_CeGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.589
_cell_length_c   7.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.534
_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  0.510  0.539  0.250  1.0
  Ce  Ce1  1  0.990  0.039  0.250  1.0
  Ce  Ce2  1  0.490  0.461  0.750  1.0
  Ce  Ce3  1  0.010  0.961  0.750  1.0
  Ga  Ga4  1  0.500  0.000  0.000  1.0
  Ga  Ga5  1  0.000  0.500  0.500  1.0
  Ga  Ga6  1  0.500  0.000  0.500  1.0
  Ga  Ga7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.418  0.982  0.250  1.0
  O  O9  1  0.082  0.482  0.250  1.0
  O  O10  1  0.582  0.018  0.750  1.0
  O  O11  1  0.918  0.518  0.750  1.0
  O  O12  1  0.790  0.790  0.043  1.0
  O  O13  1  0.710  0.290  0.457  1.0
  O  O14  1  0.210  0.210  0.543  1.0
  O  O15  1  0.290  0.710  0.957  1.0
  O  O16  1  0.210  0.210  0.957  1.0
  O  O17  1  0.290  0.710  0.543  1.0
  O  O18  1  0.790  0.790  0.457  1.0
  O  O19  1  0.710  0.290  0.043  1.0
[/CIF]
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The structure described by CeGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ga(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ce(1) and two equivalent Ga(1) atoms. is represented by the CIF file [CIF]
data_CeGaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.492
_cell_length_b   5.589
_cell_length_c   7.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.534
_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  0.510  0.539  0.250  1.0
  Ce  Ce1  1  0.990  0.039  0.250  1.0
  Ce  Ce2  1  0.490  0.461  0.750  1.0
  Ce  Ce3  1  0.010  0.961  0.750  1.0
  Ga  Ga4  1  0.500  0.000  0.000  1.0
  Ga  Ga5  1  0.000  0.500  0.500  1.0
  Ga  Ga6  1  0.500  0.000  0.500  1.0
  Ga  Ga7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.418  0.982  0.250  1.0
  O  O9  1  0.082  0.482  0.250  1.0
  O  O10  1  0.582  0.018  0.750  1.0
  O  O11  1  0.918  0.518  0.750  1.0
  O  O12  1  0.790  0.790  0.043  1.0
  O  O13  1  0.710  0.290  0.457  1.0
  O  O14  1  0.210  0.210  0.543  1.0
  O  O15  1  0.290  0.710  0.957  1.0
  O  O16  1  0.210  0.210  0.957  1.0
  O  O17  1  0.290  0.710  0.543  1.0
  O  O18  1  0.790  0.790  0.457  1.0
  O  O19  1  0.710  0.290  0.043  1.0
[/CIF]
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