The material structure described by LiLa4CuO8 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(5), and three equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and three equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form distorted OLiLa4Cu octahedra that share corners with two equivalent O(1)LiLa4Cu octahedra, corners with six equivalent O(4)La5Cu octahedra, corners with six equivalent O(5)LiLa5 octahedra, edges with two equivalent O(1)LiLa4Cu octahedra, faces with two equivalent O(3)La4Cu2 octahedra, faces with two equivalent O(4)La5Cu octahedra, faces with two equivalent O(2)Li2La4 octahedra, and faces with two equivalent O(5)LiLa5 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent La(1), and two equivalent La(2) atoms to form distorted OLi2La4 octahedra that share corners with two equivalent O(2)Li2La4 octahedra, corners with two equivalent O(5)LiLa5 octahedra, corners with ten equivalent O(4)La5Cu octahedra, edges with two equivalent O(3)La4Cu2 octahedra, faces with four equivalent O(1)LiLa4Cu octahedra, and faces with four equivalent O(5)LiLa5 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(3)La4Cu2 octahedra, corners with two equivalent O(4)La5Cu octahedra, corners with ten equivalent O(5)LiLa5 octahedra, edges with two equivalent O(2)Li2La4 octahedra, faces with four equivalent O(4)La5Cu octahedra, and faces with four equivalent O(1)LiLa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the fourth O site, O(4) is bonded to two equivalent La(2), three equivalent La(1), and one Cu(1) atom to form distorted OLa5Cu octahedra that share  a cornercorner with one O(3)La4Cu2 octahedra,  a cornercorner with one O(4)La5Cu octahedra, corners with four equivalent O(5)LiLa5 octahedra, corners with five equivalent O(2)Li2La4 octahedra, corners with six equivalent O(1)LiLa4Cu octahedra, edges with four equivalent O(4)La5Cu octahedra, edges with four equivalent O(5)LiLa5 octahedra, faces with two equivalent O(3)La4Cu2 octahedra, and faces with two equivalent O(1)LiLa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent La(1), and three equivalent La(2) atoms to form distorted OLiLa5 octahedra that share  a cornercorner with one O(2)Li2La4 octahedra,  a cornercorner with one O(5)LiLa5 octahedra, corners with four equivalent O(4)La5Cu octahedra, corners with five equivalent O(3)La4Cu2 octahedra, corners with six equivalent O(1)LiLa4Cu octahedra, edges with four equivalent O(4)La5Cu octahedra, edges with four equivalent O(5)LiLa5 octahedra, faces with two equivalent O(2)Li2La4 octahedra, and faces with two equivalent O(1)LiLa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLa4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.032
_cell_length_c   7.561
_cell_angle_alpha   74.432
_cell_angle_beta   74.432
_cell_angle_gamma   31.488
_symmetry_Int_Tables_number   1
_cell_volume   187.564
_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  0.000  0.000  0.000  1.0
  La  La1  1  0.362  0.362  0.310  1.0
  La  La2  1  0.364  0.364  0.827  1.0
  La  La3  1  0.638  0.638  0.690  1.0
  La  La4  1  0.636  0.636  0.173  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.999  0.999  0.259  1.0
  O  O7  1  0.001  0.001  0.741  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.181  0.181  0.408  1.0
  O  O11  1  0.182  0.182  0.910  1.0
  O  O12  1  0.819  0.819  0.592  1.0
  O  O13  1  0.818  0.818  0.090  1.0
[/CIF]
.
The material structure described by LiLa4CuO8 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(5), and three equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and three equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form distorted OLiLa4Cu octahedra that share corners with two equivalent O(1)LiLa4Cu octahedra, corners with six equivalent O(4)La5Cu octahedra, corners with six equivalent O(5)LiLa5 octahedra, edges with two equivalent O(1)LiLa4Cu octahedra, faces with two equivalent O(3)La4Cu2 octahedra, faces with two equivalent O(4)La5Cu octahedra, faces with two equivalent O(2)Li2La4 octahedra, and faces with two equivalent O(5)LiLa5 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent La(1), and two equivalent La(2) atoms to form distorted OLi2La4 octahedra that share corners with two equivalent O(2)Li2La4 octahedra, corners with two equivalent O(5)LiLa5 octahedra, corners with ten equivalent O(4)La5Cu octahedra, edges with two equivalent O(3)La4Cu2 octahedra, faces with four equivalent O(1)LiLa4Cu octahedra, and faces with four equivalent O(5)LiLa5 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cu(1) atoms to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(3)La4Cu2 octahedra, corners with two equivalent O(4)La5Cu octahedra, corners with ten equivalent O(5)LiLa5 octahedra, edges with two equivalent O(2)Li2La4 octahedra, faces with four equivalent O(4)La5Cu octahedra, and faces with four equivalent O(1)LiLa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the fourth O site, O(4) is bonded to two equivalent La(2), three equivalent La(1), and one Cu(1) atom to form distorted OLa5Cu octahedra that share  a cornercorner with one O(3)La4Cu2 octahedra,  a cornercorner with one O(4)La5Cu octahedra, corners with four equivalent O(5)LiLa5 octahedra, corners with five equivalent O(2)Li2La4 octahedra, corners with six equivalent O(1)LiLa4Cu octahedra, edges with four equivalent O(4)La5Cu octahedra, edges with four equivalent O(5)LiLa5 octahedra, faces with two equivalent O(3)La4Cu2 octahedra, and faces with two equivalent O(1)LiLa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent La(1), and three equivalent La(2) atoms to form distorted OLiLa5 octahedra that share  a cornercorner with one O(2)Li2La4 octahedra,  a cornercorner with one O(5)LiLa5 octahedra, corners with four equivalent O(4)La5Cu octahedra, corners with five equivalent O(3)La4Cu2 octahedra, corners with six equivalent O(1)LiLa4Cu octahedra, edges with four equivalent O(4)La5Cu octahedra, edges with four equivalent O(5)LiLa5 octahedra, faces with two equivalent O(2)Li2La4 octahedra, and faces with two equivalent O(1)LiLa4Cu octahedra. The corner-sharing octahedral tilt angles range from 0-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLa4CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.032
_cell_length_c   7.561
_cell_angle_alpha   74.432
_cell_angle_beta   74.432
_cell_angle_gamma   31.488
_symmetry_Int_Tables_number   1
_cell_volume   187.564
_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  0.000  0.000  0.000  1.0
  La  La1  1  0.362  0.362  0.310  1.0
  La  La2  1  0.364  0.364  0.827  1.0
  La  La3  1  0.638  0.638  0.690  1.0
  La  La4  1  0.636  0.636  0.173  1.0
  Cu  Cu5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.999  0.999  0.259  1.0
  O  O7  1  0.001  0.001  0.741  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.181  0.181  0.408  1.0
  O  O11  1  0.182  0.182  0.910  1.0
  O  O12  1  0.819  0.819  0.592  1.0
  O  O13  1  0.818  0.818  0.090  1.0
[/CIF]
.