The crystal structure described by Na2CeO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, corners with two equivalent Ce(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with two equivalent Ce(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, corners with two equivalent Ce(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with two equivalent Ce(2)O6 octahedra, and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, edges with three equivalent Ce(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. 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(3) atoms to form CeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Ce(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Ce site, Ce(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Ce(1), and one Ce(2) atom to form a mixture of edge and corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(1) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Ce(1), and one Ce(2) atom to form a mixture of edge and corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(2) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Ce(1), and one Ce(2) atom to form a mixture of edge and corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF card [CIF]
data_Na2CeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.999
_cell_length_b   5.999
_cell_length_c   11.063
_cell_angle_alpha   95.235
_cell_angle_beta   95.235
_cell_angle_gamma   120.094
_symmetry_Int_Tables_number   1
_cell_volume   338.705
_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
  Na  Na0  1  0.186  0.843  0.500  1.0
  Na  Na1  1  0.657  0.314  1.000  1.0
  Na  Na2  1  0.814  0.157  0.500  1.0
  Na  Na3  1  0.343  0.686  0.000  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.416  0.084  0.250  1.0
  Na  Na7  1  0.584  0.916  0.750  1.0
  Ce  Ce8  1  0.750  0.750  0.250  1.0
  Ce  Ce9  1  0.250  0.250  0.750  1.0
  Ce  Ce10  1  0.083  0.417  0.250  1.0
  Ce  Ce11  1  0.917  0.583  0.750  1.0
  O  O12  1  0.455  0.761  0.362  1.0
  O  O13  1  0.739  0.045  0.138  1.0
  O  O14  1  0.545  0.239  0.638  1.0
  O  O15  1  0.261  0.955  0.862  1.0
  O  O16  1  0.091  0.121  0.359  1.0
  O  O17  1  0.379  0.409  0.141  1.0
  O  O18  1  0.909  0.879  0.641  1.0
  O  O19  1  0.621  0.591  0.859  1.0
  O  O20  1  0.815  0.482  0.359  1.0
  O  O21  1  0.018  0.685  0.141  1.0
  O  O22  1  0.185  0.518  0.641  1.0
  O  O23  1  0.982  0.315  0.859  1.0
[/CIF]
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The crystal structure described by Na2CeO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, corners with two equivalent Ce(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with two equivalent Ce(2)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with three equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, corners with two equivalent Ce(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with two equivalent Ce(2)O6 octahedra, and edges with six equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, edges with three equivalent Ce(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. 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(3) atoms to form CeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Ce(2)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Ce site, Ce(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent Ce(1)O6 octahedra, and edges with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Ce(1), and one Ce(2) atom to form a mixture of edge and corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(1) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Ce(1), and one Ce(2) atom to form a mixture of edge and corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(2) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Ce(1), and one Ce(2) atom to form a mixture of edge and corner-sharing ONa4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. is represented by the CIF card [CIF]
data_Na2CeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.999
_cell_length_b   5.999
_cell_length_c   11.063
_cell_angle_alpha   95.235
_cell_angle_beta   95.235
_cell_angle_gamma   120.094
_symmetry_Int_Tables_number   1
_cell_volume   338.705
_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
  Na  Na0  1  0.186  0.843  0.500  1.0
  Na  Na1  1  0.657  0.314  1.000  1.0
  Na  Na2  1  0.814  0.157  0.500  1.0
  Na  Na3  1  0.343  0.686  0.000  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.416  0.084  0.250  1.0
  Na  Na7  1  0.584  0.916  0.750  1.0
  Ce  Ce8  1  0.750  0.750  0.250  1.0
  Ce  Ce9  1  0.250  0.250  0.750  1.0
  Ce  Ce10  1  0.083  0.417  0.250  1.0
  Ce  Ce11  1  0.917  0.583  0.750  1.0
  O  O12  1  0.455  0.761  0.362  1.0
  O  O13  1  0.739  0.045  0.138  1.0
  O  O14  1  0.545  0.239  0.638  1.0
  O  O15  1  0.261  0.955  0.862  1.0
  O  O16  1  0.091  0.121  0.359  1.0
  O  O17  1  0.379  0.409  0.141  1.0
  O  O18  1  0.909  0.879  0.641  1.0
  O  O19  1  0.621  0.591  0.859  1.0
  O  O20  1  0.815  0.482  0.359  1.0
  O  O21  1  0.018  0.685  0.141  1.0
  O  O22  1  0.185  0.518  0.641  1.0
  O  O23  1  0.982  0.315  0.859  1.0
[/CIF]
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