The crystal structure described by Li2CeO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with five equivalent Li(2)O6 octahedra, and edges with five equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Ce(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing OLi4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OLi4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. is represented by the CIF file [CIF]
data_Li2CeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.565
_cell_length_c   5.950
_cell_angle_alpha   77.975
_cell_angle_beta   77.975
_cell_angle_gamma   117.993
_symmetry_Int_Tables_number   1
_cell_volume   148.776
_cell_formula_units_Z   2
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
  Li  Li0  1  0.733  0.267  0.750  1.0
  Li  Li1  1  0.429  0.571  0.750  1.0
  Li  Li2  1  0.267  0.733  0.250  1.0
  Li  Li3  1  0.571  0.429  0.250  1.0
  Ce  Ce4  1  0.090  0.910  0.750  1.0
  Ce  Ce5  1  0.910  0.090  0.250  1.0
  O  O6  1  0.840  0.687  0.523  1.0
  O  O7  1  0.687  0.840  0.023  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.313  0.160  0.977  1.0
  O  O10  1  0.500  0.000  0.500  1.0
  O  O11  1  0.160  0.313  0.477  1.0
[/CIF]
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The crystal structure described by Li2CeO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with five equivalent Li(2)O6 octahedra, and edges with five equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Ce(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ce(1)O6 octahedra, edges with two equivalent Ce(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing OLi4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Ce(1) atoms to form a mixture of corner and edge-sharing OLi4Ce2 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. is represented by the CIF file [CIF]
data_Li2CeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.565
_cell_length_c   5.950
_cell_angle_alpha   77.975
_cell_angle_beta   77.975
_cell_angle_gamma   117.993
_symmetry_Int_Tables_number   1
_cell_volume   148.776
_cell_formula_units_Z   2
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
  Li  Li0  1  0.733  0.267  0.750  1.0
  Li  Li1  1  0.429  0.571  0.750  1.0
  Li  Li2  1  0.267  0.733  0.250  1.0
  Li  Li3  1  0.571  0.429  0.250  1.0
  Ce  Ce4  1  0.090  0.910  0.750  1.0
  Ce  Ce5  1  0.910  0.090  0.250  1.0
  O  O6  1  0.840  0.687  0.523  1.0
  O  O7  1  0.687  0.840  0.023  1.0
  O  O8  1  0.000  0.500  0.000  1.0
  O  O9  1  0.313  0.160  0.977  1.0
  O  O10  1  0.500  0.000  0.500  1.0
  O  O11  1  0.160  0.313  0.477  1.0
[/CIF]
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