The crystal structure described by La4Li2O7 crystallizes in the trigonal P-31m space group. The structure consists of two 7439-93-2 atoms inside a La4O7 framework. In the La4O7 framework, there are two inequivalent La sites. In the first La site, La(1) is bonded to one O(2) and three equivalent O(1) atoms to form LaO4 trigonal pyramids that share corners with six equivalent La(2)O6 octahedra and  a cornercorner with one La(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 65°. In the second La site, La(2) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent La(1)O4 trigonal pyramids and edges with three equivalent La(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent La(1) atoms. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to one La(1) and two equivalent La(2) atoms. is represented by the CIF file [CIF]
data_Li2La4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.368
_cell_length_b   6.368
_cell_length_c   7.515
_cell_angle_alpha   90.004
_cell_angle_beta   89.998
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   263.907
_cell_formula_units_Z   1
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  0.333  0.667  1.000  1.0
  Li  Li1  1  0.667  0.333  1.000  1.0
  La  La2  1  0.000  1.000  0.278  1.0
  La  La3  1  1.000  0.000  0.722  1.0
  La  La4  1  0.333  0.667  0.500  1.0
  La  La5  1  0.667  0.333  0.500  1.0
  O  O6  1  1.000  0.635  0.320  1.0
  O  O7  1  0.000  0.365  0.680  1.0
  O  O8  1  0.000  1.000  1.000  1.0
  O  O9  1  0.365  0.365  0.320  1.0
  O  O10  1  0.635  0.635  0.680  1.0
  O  O11  1  0.365  0.000  0.680  1.0
  O  O12  1  0.635  1.000  0.320  1.0
[/CIF]
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The crystal structure described by La4Li2O7 crystallizes in the trigonal P-31m space group. The structure consists of two 7439-93-2 atoms inside a La4O7 framework. In the La4O7 framework, there are two inequivalent La sites. In the first La site, La(1) is bonded to one O(2) and three equivalent O(1) atoms to form LaO4 trigonal pyramids that share corners with six equivalent La(2)O6 octahedra and  a cornercorner with one La(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 65°. In the second La site, La(2) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent La(1)O4 trigonal pyramids and edges with three equivalent La(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a linear geometry to two equivalent La(1) atoms. In the second O site, O(1) is bonded in a trigonal non-coplanar geometry to one La(1) and two equivalent La(2) atoms. is represented by the CIF file [CIF]
data_Li2La4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.368
_cell_length_b   6.368
_cell_length_c   7.515
_cell_angle_alpha   90.004
_cell_angle_beta   89.998
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   263.907
_cell_formula_units_Z   1
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  0.333  0.667  1.000  1.0
  Li  Li1  1  0.667  0.333  1.000  1.0
  La  La2  1  0.000  1.000  0.278  1.0
  La  La3  1  1.000  0.000  0.722  1.0
  La  La4  1  0.333  0.667  0.500  1.0
  La  La5  1  0.667  0.333  0.500  1.0
  O  O6  1  1.000  0.635  0.320  1.0
  O  O7  1  0.000  0.365  0.680  1.0
  O  O8  1  0.000  1.000  1.000  1.0
  O  O9  1  0.365  0.365  0.320  1.0
  O  O10  1  0.635  0.635  0.680  1.0
  O  O11  1  0.365  0.000  0.680  1.0
  O  O12  1  0.635  1.000  0.320  1.0
[/CIF]
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