The crystal structure described by Li3LaO3 crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra, corners with two equivalent La(2)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one La(1)O6 octahedra,  an edgeedge with one La(2)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-57°. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent La(2)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. In the second La site, La(2) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent La(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1), one La(1), and one La(2) atom. is represented by the CIF card [CIF]
data_Li3LaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.073
_cell_length_b   6.073
_cell_length_c   11.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   356.406
_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  0.058  0.365  0.558  1.0
  Li  Li1  1  0.942  0.306  0.058  1.0
  Li  Li2  1  0.365  0.058  0.058  1.0
  Li  Li3  1  0.058  0.694  0.942  1.0
  Li  Li4  1  0.306  0.942  0.558  1.0
  Li  Li5  1  0.942  0.635  0.442  1.0
  Li  Li6  1  0.365  0.306  0.442  1.0
  Li  Li7  1  0.635  0.694  0.558  1.0
  Li  Li8  1  0.694  0.635  0.058  1.0
  Li  Li9  1  0.306  0.365  0.942  1.0
  Li  Li10  1  0.635  0.942  0.942  1.0
  Li  Li11  1  0.694  0.058  0.442  1.0
  La  La12  1  0.333  0.667  0.250  1.0
  La  La13  1  0.667  0.333  0.750  1.0
  La  La14  1  0.000  0.000  0.750  1.0
  La  La15  1  0.000  0.000  0.250  1.0
  O  O16  1  0.036  0.333  0.383  1.0
  O  O17  1  0.964  0.297  0.883  1.0
  O  O18  1  0.036  0.703  0.117  1.0
  O  O19  1  0.964  0.667  0.617  1.0
  O  O20  1  0.297  0.964  0.383  1.0
  O  O21  1  0.333  0.036  0.883  1.0
  O  O22  1  0.703  0.667  0.883  1.0
  O  O23  1  0.333  0.297  0.617  1.0
  O  O24  1  0.667  0.703  0.383  1.0
  O  O25  1  0.297  0.333  0.117  1.0
  O  O26  1  0.667  0.964  0.117  1.0
  O  O27  1  0.703  0.036  0.617  1.0
[/CIF]
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The crystal structure described by Li3LaO3 crystallizes in the trigonal P-31c space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra, corners with two equivalent La(2)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra,  an edgeedge with one La(1)O6 octahedra,  an edgeedge with one La(2)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-57°. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent La(2)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. In the second La site, La(2) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with three equivalent La(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 6-coordinate geometry to four equivalent Li(1), one La(1), and one La(2) atom. is represented by the CIF card [CIF]
data_Li3LaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.073
_cell_length_b   6.073
_cell_length_c   11.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   356.406
_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  0.058  0.365  0.558  1.0
  Li  Li1  1  0.942  0.306  0.058  1.0
  Li  Li2  1  0.365  0.058  0.058  1.0
  Li  Li3  1  0.058  0.694  0.942  1.0
  Li  Li4  1  0.306  0.942  0.558  1.0
  Li  Li5  1  0.942  0.635  0.442  1.0
  Li  Li6  1  0.365  0.306  0.442  1.0
  Li  Li7  1  0.635  0.694  0.558  1.0
  Li  Li8  1  0.694  0.635  0.058  1.0
  Li  Li9  1  0.306  0.365  0.942  1.0
  Li  Li10  1  0.635  0.942  0.942  1.0
  Li  Li11  1  0.694  0.058  0.442  1.0
  La  La12  1  0.333  0.667  0.250  1.0
  La  La13  1  0.667  0.333  0.750  1.0
  La  La14  1  0.000  0.000  0.750  1.0
  La  La15  1  0.000  0.000  0.250  1.0
  O  O16  1  0.036  0.333  0.383  1.0
  O  O17  1  0.964  0.297  0.883  1.0
  O  O18  1  0.036  0.703  0.117  1.0
  O  O19  1  0.964  0.667  0.617  1.0
  O  O20  1  0.297  0.964  0.383  1.0
  O  O21  1  0.333  0.036  0.883  1.0
  O  O22  1  0.703  0.667  0.883  1.0
  O  O23  1  0.333  0.297  0.617  1.0
  O  O24  1  0.667  0.703  0.383  1.0
  O  O25  1  0.297  0.333  0.117  1.0
  O  O26  1  0.667  0.964  0.117  1.0
  O  O27  1  0.703  0.036  0.617  1.0
[/CIF]
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