The compound described by LiCeO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing LiO4 trigonal pyramids. Ce(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLi2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_LiCeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   5.817
_cell_length_c   5.890
_cell_angle_alpha   75.938
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.816
_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
  Li  Li0  1  0.868  0.818  0.666  1.0
  Li  Li1  1  0.368  0.682  0.334  1.0
  Li  Li2  1  0.132  0.182  0.334  1.0
  Li  Li3  1  0.632  0.318  0.666  1.0
  Ce  Ce4  1  0.927  0.695  0.201  1.0
  Ce  Ce5  1  0.573  0.195  0.201  1.0
  Ce  Ce6  1  0.072  0.305  0.799  1.0
  Ce  Ce7  1  0.427  0.805  0.799  1.0
  O  O8  1  0.753  0.014  0.910  1.0
  O  O9  1  0.863  0.306  0.433  1.0
  O  O10  1  0.253  0.486  0.090  1.0
  O  O11  1  0.247  0.986  0.090  1.0
  O  O12  1  0.137  0.694  0.567  1.0
  O  O13  1  0.363  0.194  0.567  1.0
  O  O14  1  0.637  0.806  0.433  1.0
  O  O15  1  0.747  0.514  0.910  1.0
[/CIF]
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The compound described by LiCeO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing LiO4 trigonal pyramids. Ce(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLi2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_LiCeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.072
_cell_length_b   5.817
_cell_length_c   5.890
_cell_angle_alpha   75.938
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.816
_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
  Li  Li0  1  0.868  0.818  0.666  1.0
  Li  Li1  1  0.368  0.682  0.334  1.0
  Li  Li2  1  0.132  0.182  0.334  1.0
  Li  Li3  1  0.632  0.318  0.666  1.0
  Ce  Ce4  1  0.927  0.695  0.201  1.0
  Ce  Ce5  1  0.573  0.195  0.201  1.0
  Ce  Ce6  1  0.072  0.305  0.799  1.0
  Ce  Ce7  1  0.427  0.805  0.799  1.0
  O  O8  1  0.753  0.014  0.910  1.0
  O  O9  1  0.863  0.306  0.433  1.0
  O  O10  1  0.253  0.486  0.090  1.0
  O  O11  1  0.247  0.986  0.090  1.0
  O  O12  1  0.137  0.694  0.567  1.0
  O  O13  1  0.363  0.194  0.567  1.0
  O  O14  1  0.637  0.806  0.433  1.0
  O  O15  1  0.747  0.514  0.910  1.0
[/CIF]
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