The material described by Li3La5Ti6Nb2O26 crystallizes in the monoclinic P2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(9) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(9) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(9) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with two equivalent Ti(3)O6 octahedra. In the second La site, La(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with two equivalent Ti(3)O6 octahedra. In the third La site, La(3) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(14), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(3)O12 cuboctahedra, corners with eight equivalent La(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(7) atom. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(14), one O(3), one O(4), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(6), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one Ti(1) atom to form OLi3Ti tetrahedra that share  a cornercorner with one O(7)La4Ti2 octahedra,  a cornercorner with one O(5)Li3Ti tetrahedra, corners with four equivalent O(9)Li3Nb tetrahedra,  an edgeedge with one O(9)Li3Nb tetrahedra, and  an edgeedge with one O(5)Li3Ti tetrahedra. The corner-sharing octahedral tilt angles are 3°. In the sixth O site, O(6) is bonded to two equivalent La(1), two equivalent La(2), one Ti(3), and one Nb(1) atom to form distorted OLa4TiNb octahedra that share corners with four equivalent O(6)La4TiNb octahedra,  a cornercorner with one O(9)Li3Nb tetrahedra, and edges with four equivalent O(7)La4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the seventh O site, O(7) is bonded to two equivalent La(1), two equivalent La(2), one Ti(1), and one Ti(2) atom to form distorted OLa4Ti2 octahedra that share corners with four equivalent O(7)La4Ti2 octahedra,  a cornercorner with one O(5)Li3Ti tetrahedra, and edges with four equivalent O(6)La4TiNb octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent La(3) and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), and one Nb(1) atom to form OLi3Nb tetrahedra that share  a cornercorner with one O(6)La4TiNb octahedra,  a cornercorner with one O(9)Li3Nb tetrahedra, corners with four equivalent O(5)Li3Ti tetrahedra,  an edgeedge with one O(9)Li3Nb tetrahedra, and  an edgeedge with one O(5)Li3Ti tetrahedra. The corner-sharing octahedral tilt angles are 5°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one La(1), 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 distorted linear geometry to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent La(3) and two equivalent Ti(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3La5Ti6Nb2O26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.534
_cell_length_b   5.531
_cell_length_c   17.257
_cell_angle_alpha   81.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.708
_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  0.229  0.500  0.500  1.0
  Li  Li1  1  0.759  0.000  0.500  1.0
  Li  Li2  1  0.243  0.000  0.500  1.0
  La  La3  1  0.002  0.382  0.234  1.0
  La  La4  1  0.499  0.115  0.765  1.0
  La  La5  1  0.499  0.885  0.235  1.0
  La  La6  1  0.001  0.500  0.000  1.0
  La  La7  1  0.002  0.618  0.766  1.0
  Ti  Ti8  1  1.000  0.180  0.638  1.0
  Ti  Ti9  1  1.000  0.058  0.885  1.0
  Ti  Ti10  1  0.500  0.443  0.114  1.0
  Ti  Ti11  1  0.500  0.557  0.886  1.0
  Ti  Ti12  1  1.000  0.942  0.115  1.0
  Ti  Ti13  1  1.000  0.820  0.362  1.0
  Nb  Nb14  1  0.503  0.323  0.363  1.0
  Nb  Nb15  1  0.503  0.677  0.637  1.0
  O  O16  1  0.249  0.583  0.340  1.0
  O  O17  1  0.751  0.586  0.336  1.0
  O  O18  1  0.760  0.679  0.121  1.0
  O  O19  1  0.241  0.679  0.121  1.0
  O  O20  1  0.009  0.220  0.536  1.0
  O  O21  1  0.498  0.384  0.230  1.0
  O  O22  1  0.003  0.112  0.771  1.0
  O  O23  1  1.000  0.000  0.000  1.0
  O  O24  1  0.488  0.255  0.470  1.0
  O  O25  1  0.240  0.201  0.120  1.0
  O  O26  1  0.759  0.199  0.121  1.0
  O  O27  1  0.251  0.919  0.663  1.0
  O  O28  1  0.751  0.920  0.660  1.0
  O  O29  1  0.751  0.080  0.340  1.0
  O  O30  1  0.251  0.081  0.337  1.0
  O  O31  1  0.759  0.801  0.879  1.0
  O  O32  1  0.240  0.799  0.880  1.0
  O  O33  1  0.488  0.745  0.530  1.0
  O  O34  1  0.003  0.888  0.229  1.0
  O  O35  1  0.498  0.616  0.770  1.0
  O  O36  1  0.500  0.500  0.000  1.0
  O  O37  1  0.009  0.780  0.464  1.0
  O  O38  1  0.241  0.321  0.879  1.0
  O  O39  1  0.760  0.321  0.879  1.0
  O  O40  1  0.751  0.414  0.664  1.0
  O  O41  1  0.249  0.417  0.660  1.0
[/CIF]
.
The material described by Li3La5Ti6Nb2O26 crystallizes in the monoclinic P2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(9) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(5) and two equivalent O(9) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(9) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with two equivalent Ti(3)O6 octahedra. In the second La site, La(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with two equivalent Ti(3)O6 octahedra. In the third La site, La(3) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(14), two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(3)O12 cuboctahedra, corners with eight equivalent La(2)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(7) atom. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(14), one O(3), one O(4), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(6), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one Ti(1) atom to form OLi3Ti tetrahedra that share  a cornercorner with one O(7)La4Ti2 octahedra,  a cornercorner with one O(5)Li3Ti tetrahedra, corners with four equivalent O(9)Li3Nb tetrahedra,  an edgeedge with one O(9)Li3Nb tetrahedra, and  an edgeedge with one O(5)Li3Ti tetrahedra. The corner-sharing octahedral tilt angles are 3°. In the sixth O site, O(6) is bonded to two equivalent La(1), two equivalent La(2), one Ti(3), and one Nb(1) atom to form distorted OLa4TiNb octahedra that share corners with four equivalent O(6)La4TiNb octahedra,  a cornercorner with one O(9)Li3Nb tetrahedra, and edges with four equivalent O(7)La4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the seventh O site, O(7) is bonded to two equivalent La(1), two equivalent La(2), one Ti(1), and one Ti(2) atom to form distorted OLa4Ti2 octahedra that share corners with four equivalent O(7)La4Ti2 octahedra,  a cornercorner with one O(5)Li3Ti tetrahedra, and edges with four equivalent O(6)La4TiNb octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the eighth O site, O(8) is bonded in a distorted linear geometry to two equivalent La(3) and two equivalent Ti(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), and one Nb(1) atom to form OLi3Nb tetrahedra that share  a cornercorner with one O(6)La4TiNb octahedra,  a cornercorner with one O(9)Li3Nb tetrahedra, corners with four equivalent O(5)Li3Ti tetrahedra,  an edgeedge with one O(9)Li3Nb tetrahedra, and  an edgeedge with one O(5)Li3Ti tetrahedra. The corner-sharing octahedral tilt angles are 5°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one La(1), 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 distorted linear geometry to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent La(3) and two equivalent Ti(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3La5Ti6Nb2O26
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.534
_cell_length_b   5.531
_cell_length_c   17.257
_cell_angle_alpha   81.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   521.708
_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  0.229  0.500  0.500  1.0
  Li  Li1  1  0.759  0.000  0.500  1.0
  Li  Li2  1  0.243  0.000  0.500  1.0
  La  La3  1  0.002  0.382  0.234  1.0
  La  La4  1  0.499  0.115  0.765  1.0
  La  La5  1  0.499  0.885  0.235  1.0
  La  La6  1  0.001  0.500  0.000  1.0
  La  La7  1  0.002  0.618  0.766  1.0
  Ti  Ti8  1  1.000  0.180  0.638  1.0
  Ti  Ti9  1  1.000  0.058  0.885  1.0
  Ti  Ti10  1  0.500  0.443  0.114  1.0
  Ti  Ti11  1  0.500  0.557  0.886  1.0
  Ti  Ti12  1  1.000  0.942  0.115  1.0
  Ti  Ti13  1  1.000  0.820  0.362  1.0
  Nb  Nb14  1  0.503  0.323  0.363  1.0
  Nb  Nb15  1  0.503  0.677  0.637  1.0
  O  O16  1  0.249  0.583  0.340  1.0
  O  O17  1  0.751  0.586  0.336  1.0
  O  O18  1  0.760  0.679  0.121  1.0
  O  O19  1  0.241  0.679  0.121  1.0
  O  O20  1  0.009  0.220  0.536  1.0
  O  O21  1  0.498  0.384  0.230  1.0
  O  O22  1  0.003  0.112  0.771  1.0
  O  O23  1  1.000  0.000  0.000  1.0
  O  O24  1  0.488  0.255  0.470  1.0
  O  O25  1  0.240  0.201  0.120  1.0
  O  O26  1  0.759  0.199  0.121  1.0
  O  O27  1  0.251  0.919  0.663  1.0
  O  O28  1  0.751  0.920  0.660  1.0
  O  O29  1  0.751  0.080  0.340  1.0
  O  O30  1  0.251  0.081  0.337  1.0
  O  O31  1  0.759  0.801  0.879  1.0
  O  O32  1  0.240  0.799  0.880  1.0
  O  O33  1  0.488  0.745  0.530  1.0
  O  O34  1  0.003  0.888  0.229  1.0
  O  O35  1  0.498  0.616  0.770  1.0
  O  O36  1  0.500  0.500  0.000  1.0
  O  O37  1  0.009  0.780  0.464  1.0
  O  O38  1  0.241  0.321  0.879  1.0
  O  O39  1  0.760  0.321  0.879  1.0
  O  O40  1  0.751  0.414  0.664  1.0
  O  O41  1  0.249  0.417  0.660  1.0
[/CIF]
.