The crystal structure described by LiLaO2 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 distorted corner-sharing LiO4 trigonal pyramids. La(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 La(1) atoms to form a mixture of distorted face, corner, and edge-sharing OLi2La4 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LiLaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   5.895
_cell_length_c   5.927
_cell_angle_alpha   77.103
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.499
_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  0.639  0.327  0.655  1.0
  Li  Li1  1  0.139  0.173  0.345  1.0
  Li  Li2  1  0.361  0.673  0.345  1.0
  Li  Li3  1  0.861  0.827  0.655  1.0
  La  La4  1  0.568  0.194  0.200  1.0
  La  La5  1  0.068  0.306  0.800  1.0
  La  La6  1  0.432  0.806  0.800  1.0
  La  La7  1  0.932  0.694  0.200  1.0
  O  O8  1  0.761  0.013  0.913  1.0
  O  O9  1  0.261  0.487  0.087  1.0
  O  O10  1  0.239  0.987  0.087  1.0
  O  O11  1  0.739  0.513  0.913  1.0
  O  O12  1  0.632  0.792  0.428  1.0
  O  O13  1  0.132  0.708  0.572  1.0
  O  O14  1  0.368  0.208  0.572  1.0
  O  O15  1  0.868  0.292  0.428  1.0
[/CIF]
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The crystal structure described by LiLaO2 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 distorted corner-sharing LiO4 trigonal pyramids. La(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 La(1) atoms to form a mixture of distorted face, corner, and edge-sharing OLi2La4 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LiLaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   5.895
_cell_length_c   5.927
_cell_angle_alpha   77.103
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.499
_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  0.639  0.327  0.655  1.0
  Li  Li1  1  0.139  0.173  0.345  1.0
  Li  Li2  1  0.361  0.673  0.345  1.0
  Li  Li3  1  0.861  0.827  0.655  1.0
  La  La4  1  0.568  0.194  0.200  1.0
  La  La5  1  0.068  0.306  0.800  1.0
  La  La6  1  0.432  0.806  0.800  1.0
  La  La7  1  0.932  0.694  0.200  1.0
  O  O8  1  0.761  0.013  0.913  1.0
  O  O9  1  0.261  0.487  0.087  1.0
  O  O10  1  0.239  0.987  0.087  1.0
  O  O11  1  0.739  0.513  0.913  1.0
  O  O12  1  0.632  0.792  0.428  1.0
  O  O13  1  0.132  0.708  0.572  1.0
  O  O14  1  0.368  0.208  0.572  1.0
  O  O15  1  0.868  0.292  0.428  1.0
[/CIF]
.