The material described by LiLa5Ti8O24 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Li(1) is bonded in a square co-planar geometry to one O(12), one O(9), and two equivalent O(8) atoms. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(13), one O(16), one O(3), one O(5), two equivalent O(1), two equivalent O(14), two equivalent O(4), and two equivalent O(7) atoms. In the second La site, La(2) is bonded to one O(13), one O(16), one O(3), one O(5), two equivalent O(10), two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(4)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. In the third La site, La(3) is bonded in a 12-coordinate geometry to one O(13), one O(16), one O(3), one O(5), two equivalent O(10), two equivalent O(14), two equivalent O(4), and two equivalent O(8) atoms. In the fourth La site, La(4) is bonded to one O(12), one O(15), one O(2), one O(9), two equivalent O(1), two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent La(5)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. In the fifth La site, La(5) is bonded to one O(12), one O(15), one O(2), one O(9), two equivalent O(1), two equivalent O(14), two equivalent O(4), and two equivalent O(7) atoms to form distorted LaO12 cuboctahedra that share faces with two equivalent La(4)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(3), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the third Ti site, Ti(3) is bonded to one O(10), one O(16), one O(2), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-23°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(14), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-20°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1), one La(4), one La(5), one Ti(1), and one Ti(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(4), one La(5), and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(5), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one La(2), one La(4), one Ti(1), and one Ti(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one Li(1), one La(2), one La(3), one Ti(1), and one Ti(4) atom to form a mixture of distorted edge and corner-sharing OLiLa2Ti2 trigonal bipyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one La(4), one La(5), and two equivalent Ti(1) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one La(2), one La(4), one Ti(2), and one Ti(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one La(4), one La(5), and two equivalent Ti(4) atoms. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(4) atoms. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(5), one Ti(2), and one Ti(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one La(4), one La(5), and two equivalent Ti(2) atoms. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_LiLa5Ti8O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.795
_cell_length_b   7.825
_cell_length_c   7.876
_cell_angle_alpha   89.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.412
_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  0.755  0.244  1.0
  La  La1  1  0.500  0.028  0.757  1.0
  La  La2  1  0.500  0.499  0.254  1.0
  La  La3  1  0.500  0.004  0.258  1.0
  La  La4  1  0.000  0.505  0.742  1.0
  La  La5  1  0.000  0.005  0.755  1.0
  Ti  Ti6  1  0.749  0.752  0.998  1.0
  Ti  Ti7  1  0.244  0.260  0.498  1.0
  Ti  Ti8  1  0.756  0.260  0.498  1.0
  Ti  Ti9  1  0.246  0.261  0.008  1.0
  Ti  Ti10  1  0.754  0.261  0.008  1.0
  Ti  Ti11  1  0.251  0.751  0.501  1.0
  Ti  Ti12  1  0.749  0.751  0.501  1.0
  Ti  Ti13  1  0.251  0.752  0.998  1.0
  O  O14  1  0.226  0.740  0.742  1.0
  O  O15  1  0.000  0.272  0.962  1.0
  O  O16  1  0.500  0.265  0.479  1.0
  O  O17  1  0.231  0.996  0.970  1.0
  O  O18  1  0.500  0.787  0.990  1.0
  O  O19  1  0.280  0.496  0.007  1.0
  O  O20  1  0.255  0.243  0.742  1.0
  O  O21  1  0.738  0.758  0.241  1.0
  O  O22  1  0.000  0.723  0.994  1.0
  O  O23  1  0.733  0.236  0.244  1.0
  O  O24  1  0.745  0.243  0.742  1.0
  O  O25  1  0.778  0.496  0.489  1.0
  O  O26  1  0.267  0.236  0.244  1.0
  O  O27  1  0.222  0.496  0.489  1.0
  O  O28  1  0.000  0.775  0.491  1.0
  O  O29  1  0.500  0.719  0.478  1.0
  O  O30  1  0.708  0.992  0.510  1.0
  O  O31  1  0.774  0.740  0.742  1.0
  O  O32  1  0.000  0.219  0.522  1.0
  O  O33  1  0.292  0.992  0.510  1.0
  O  O34  1  0.720  0.496  0.007  1.0
  O  O35  1  0.500  0.210  0.003  1.0
  O  O36  1  0.262  0.758  0.241  1.0
  O  O37  1  0.769  0.996  0.970  1.0
[/CIF]
.
The material described by LiLa5Ti8O24 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Li(1) is bonded in a square co-planar geometry to one O(12), one O(9), and two equivalent O(8) atoms. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(13), one O(16), one O(3), one O(5), two equivalent O(1), two equivalent O(14), two equivalent O(4), and two equivalent O(7) atoms. In the second La site, La(2) is bonded to one O(13), one O(16), one O(3), one O(5), two equivalent O(10), two equivalent O(11), two equivalent O(6), and two equivalent O(8) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(4)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. In the third La site, La(3) is bonded in a 12-coordinate geometry to one O(13), one O(16), one O(3), one O(5), two equivalent O(10), two equivalent O(14), two equivalent O(4), and two equivalent O(8) atoms. In the fourth La site, La(4) is bonded to one O(12), one O(15), one O(2), one O(9), two equivalent O(1), two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent La(5)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. In the fifth La site, La(5) is bonded to one O(12), one O(15), one O(2), one O(9), two equivalent O(1), two equivalent O(14), two equivalent O(4), and two equivalent O(7) atoms to form distorted LaO12 cuboctahedra that share faces with two equivalent La(4)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with two equivalent Ti(4)O6 octahedra. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(3), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the third Ti site, Ti(3) is bonded to one O(10), one O(16), one O(2), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-23°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(11), one O(12), one O(13), one O(14), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(4)O12 cuboctahedra, and  a faceface with one La(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-20°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1), one La(4), one La(5), one Ti(1), and one Ti(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(4), one La(5), and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(5), one Ti(1), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one La(2), one La(4), one Ti(1), and one Ti(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one Li(1), one La(2), one La(3), one Ti(1), and one Ti(4) atom to form a mixture of distorted edge and corner-sharing OLiLa2Ti2 trigonal bipyramids. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(1), one La(4), one La(5), and two equivalent Ti(1) atoms. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one La(2), one La(4), one Ti(2), and one Ti(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one La(4), one La(5), and two equivalent Ti(4) atoms. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(4) atoms. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(5), one Ti(2), and one Ti(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one La(4), one La(5), and two equivalent Ti(2) atoms. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one La(1), one La(2), one La(3), and two equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_LiLa5Ti8O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.795
_cell_length_b   7.825
_cell_length_c   7.876
_cell_angle_alpha   89.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.412
_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  0.755  0.244  1.0
  La  La1  1  0.500  0.028  0.757  1.0
  La  La2  1  0.500  0.499  0.254  1.0
  La  La3  1  0.500  0.004  0.258  1.0
  La  La4  1  0.000  0.505  0.742  1.0
  La  La5  1  0.000  0.005  0.755  1.0
  Ti  Ti6  1  0.749  0.752  0.998  1.0
  Ti  Ti7  1  0.244  0.260  0.498  1.0
  Ti  Ti8  1  0.756  0.260  0.498  1.0
  Ti  Ti9  1  0.246  0.261  0.008  1.0
  Ti  Ti10  1  0.754  0.261  0.008  1.0
  Ti  Ti11  1  0.251  0.751  0.501  1.0
  Ti  Ti12  1  0.749  0.751  0.501  1.0
  Ti  Ti13  1  0.251  0.752  0.998  1.0
  O  O14  1  0.226  0.740  0.742  1.0
  O  O15  1  0.000  0.272  0.962  1.0
  O  O16  1  0.500  0.265  0.479  1.0
  O  O17  1  0.231  0.996  0.970  1.0
  O  O18  1  0.500  0.787  0.990  1.0
  O  O19  1  0.280  0.496  0.007  1.0
  O  O20  1  0.255  0.243  0.742  1.0
  O  O21  1  0.738  0.758  0.241  1.0
  O  O22  1  0.000  0.723  0.994  1.0
  O  O23  1  0.733  0.236  0.244  1.0
  O  O24  1  0.745  0.243  0.742  1.0
  O  O25  1  0.778  0.496  0.489  1.0
  O  O26  1  0.267  0.236  0.244  1.0
  O  O27  1  0.222  0.496  0.489  1.0
  O  O28  1  0.000  0.775  0.491  1.0
  O  O29  1  0.500  0.719  0.478  1.0
  O  O30  1  0.708  0.992  0.510  1.0
  O  O31  1  0.774  0.740  0.742  1.0
  O  O32  1  0.000  0.219  0.522  1.0
  O  O33  1  0.292  0.992  0.510  1.0
  O  O34  1  0.720  0.496  0.007  1.0
  O  O35  1  0.500  0.210  0.003  1.0
  O  O36  1  0.262  0.758  0.241  1.0
  O  O37  1  0.769  0.996  0.970  1.0
[/CIF]
.