The crystal structure described by Li8La4TiNb7O28 crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(20), and two equivalent O(12) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with four equivalent Li(5)O5 trigonal bipyramids, edges with two equivalent Nb(2)O6 octahedra, and edges with four equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 59-62°. In the second Li site, Li(2) is bonded to one O(10), one O(20), and two equivalent O(12) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with four equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 72-76°. In the third Li site, Li(3) is bonded to one O(11), one O(21), one O(7), and two equivalent O(13) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with four equivalent Li(6)O5 trigonal bipyramids, edges with two equivalent Nb(3)O6 octahedra, and edges with four equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 60°. In the fourth Li site, Li(4) is bonded to one O(11), one O(21), and two equivalent O(13) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with four equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Li(3)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 73-75°. In the fifth Li site, Li(5) is bonded to one O(10), one O(16), one O(20), and two equivalent O(12) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Nb(2)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, and edges with four equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. In the sixth Li site, Li(6) is bonded to one O(11), one O(18), one O(21), and two equivalent O(13) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Nb(3)O6 octahedra, corners with four equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(5)O6 octahedra, and edges with four equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent La sites. In the first La site, La(1,3) is bonded in a 8-coordinate geometry to one O(15), one O(17), two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(16), one O(18), one O(3), one O(5), two equivalent O(14), two equivalent O(19), two equivalent O(4), and two equivalent O(6) atoms. Ti(1) is bonded to one O(10), one O(14), one O(16), one O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Nb(4)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-32°. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(11), one O(14), one O(18), one O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Nb(5)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-32°. In the second Nb site, Nb(2) is bonded to one O(1), one O(12), one O(15), one O(9), and two equivalent O(2) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-35°. In the third Nb site, Nb(3) is bonded to one O(13), one O(17), one O(7), one O(9), and two equivalent O(8) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Nb(3)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-34°. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(19), one O(20), one O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(5)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-32°. In the fifth Nb site, Nb(5) is bonded to one O(18), one O(19), one O(21), one O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-32°. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Nb(2) atoms. In the second O site, O(2) is bonded to two equivalent La(1,3) and two equivalent Nb(2) atoms to form distorted OLa2Nb2 trigonal pyramids that share corners with two equivalent O(17)La2Nb2 tetrahedra, corners with two equivalent O(12)Li4Nb trigonal bipyramids, corners with four equivalent O(2)La2Nb2 trigonal pyramids, and edges with two equivalent O(15)La2Nb2 tetrahedra. In the third O site, O(3) is bonded to two equivalent La(2), one Ti(1), and one Nb(4) atom to form distorted OLa2TiNb tetrahedra that share  a cornercorner with one O(20)Li4Nb trigonal bipyramid,  a cornercorner with one O(10)Li4Ti trigonal bipyramid, and  an edgeedge with one O(5)La2Nb2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(2), one Ti(1), and one Nb(4) atom. In the fifth O site, O(5) is bonded to two equivalent La(2), one Nb(1), and one Nb(5) atom to form distorted OLa2Nb2 tetrahedra that share  a cornercorner with one O(11)Li4Nb trigonal bipyramid,  a cornercorner with one O(21)Li4Nb trigonal bipyramid, and  an edgeedge with one O(3)La2TiNb tetrahedra. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(2), one Nb(1), and one Nb(5) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(3) and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent La(1,3) and two equivalent Nb(3) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent La(1,3); one Nb(2); and one Nb(3) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), two equivalent Li(2), and one Ti(1) atom to form distorted OLi4Ti trigonal bipyramids that share  a cornercorner with one O(3)La2TiNb tetrahedra, corners with four equivalent O(20)Li4Nb trigonal bipyramids, and edges with four equivalent O(12)Li4Nb trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one Nb(1) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(5)La2Nb2 tetrahedra, corners with four equivalent O(21)Li4Nb trigonal bipyramids, and edges with four equivalent O(13)Li4Nb trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), two equivalent Li(2), and one Nb(2) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(15)La2Nb2 tetrahedra, corners with four equivalent O(12)Li4Nb trigonal bipyramids, corners with two equivalent O(2)La2Nb2 trigonal pyramids, edges with two equivalent O(20)Li4Nb trigonal bipyramids, and edges with two equivalent O(10)Li4Ti trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one Nb(3) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(17)La2Nb2 tetrahedra, corners with four equivalent O(13)Li4Nb trigonal bipyramids, edges with two equivalent O(11)Li4Nb trigonal bipyramids, and edges with two equivalent O(21)Li4Nb trigonal bipyramids. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to four equivalent La(2), one Ti(1), and one Nb(1) atom. In the fifteenth O site, O(15) is bonded to two equivalent La(1,3) and two equivalent Nb(2) atoms to form distorted OLa2Nb2 tetrahedra that share corners with two equivalent O(12)Li4Nb trigonal bipyramids,  an edgeedge with one O(17)La2Nb2 tetrahedra, and edges with four equivalent O(2)La2Nb2 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(5), two equivalent La(2), one Ti(1), and one Nb(4) atom. In the seventeenth O site, O(17) is bonded to two equivalent La(1,3) and two equivalent Nb(3) atoms to form distorted OLa2Nb2 tetrahedra that share corners with two equivalent O(13)Li4Nb trigonal bipyramids, corners with four equivalent O(2)La2Nb2 trigonal pyramids, and  an edgeedge with one O(15)La2Nb2 tetrahedra. In the eighteenth O site, O(18) is bonded in a T-shaped geometry to one Li(6), two equivalent La(2), one Nb(1), and one Nb(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to four equivalent La(2), one Nb(4), and one Nb(5) atom. In the twentieth O site, O(20) is bonded to one Li(1), one Li(5), two equivalent Li(2), and one Nb(4) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(3)La2TiNb tetrahedra, corners with four equivalent O(10)Li4Ti trigonal bipyramids, and edges with four equivalent O(12)Li4Nb trigonal bipyramids. In the twenty-first O site, O(21) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one Nb(5) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(5)La2Nb2 tetrahedra, corners with four equivalent O(11)Li4Nb trigonal bipyramids, and edges with four equivalent O(13)Li4Nb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8La4TiNb7O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.658
_cell_length_b   5.658
_cell_length_c   18.451
_cell_angle_alpha   89.981
_cell_angle_beta   89.981
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   590.682
_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  0.997  0.997  0.761  1.0
  Li  Li1  1  0.505  0.996  0.746  1.0
  Li  Li2  1  0.999  0.999  0.237  1.0
  Li  Li3  1  0.501  0.999  0.251  1.0
  Li  Li4  1  0.996  0.505  0.746  1.0
  Li  Li5  1  0.507  0.507  0.732  1.0
  Li  Li6  1  0.999  0.501  0.251  1.0
  Li  Li7  1  0.501  0.501  0.265  1.0
  La  La8  1  0.760  0.760  1.000  1.0
  La  La9  1  0.261  0.742  0.506  1.0
  La  La10  1  0.742  0.261  0.506  1.0
  La  La11  1  0.240  0.240  1.000  1.0
  Ti  Ti12  1  0.752  0.752  0.616  1.0
  Nb  Nb13  1  0.752  0.752  0.387  1.0
  Nb  Nb14  1  0.252  0.748  0.884  1.0
  Nb  Nb15  1  0.252  0.748  0.116  1.0
  Nb  Nb16  1  0.748  0.252  0.884  1.0
  Nb  Nb17  1  0.748  0.252  0.116  1.0
  Nb  Nb18  1  0.248  0.248  0.616  1.0
  Nb  Nb19  1  0.248  0.248  0.385  1.0
  O  O20  1  1.000  1.000  0.881  1.0
  O  O21  1  0.500  1.000  0.905  1.0
  O  O22  1  0.999  0.999  0.585  1.0
  O  O23  1  0.501  0.998  0.597  1.0
  O  O24  1  0.000  0.000  0.417  1.0
  O  O25  1  0.499  0.000  0.403  1.0
  O  O26  1  1.000  1.000  0.120  1.0
  O  O27  1  0.500  1.000  0.096  1.0
  O  O28  1  0.199  0.801  0.000  1.0
  O  O29  1  0.771  0.771  0.714  1.0
  O  O30  1  0.773  0.773  0.283  1.0
  O  O31  1  0.274  0.726  0.782  1.0
  O  O32  1  0.274  0.726  0.218  1.0
  O  O33  1  0.699  0.699  0.500  1.0
  O  O34  1  0.500  0.500  0.918  1.0
  O  O35  1  1.000  0.500  0.905  1.0
  O  O36  1  0.998  0.501  0.597  1.0
  O  O37  1  0.501  0.501  0.618  1.0
  O  O38  1  1.000  0.500  0.096  1.0
  O  O39  1  0.500  0.500  0.083  1.0
  O  O40  1  0.000  0.499  0.403  1.0
  O  O41  1  0.499  0.499  0.379  1.0
  O  O42  1  0.299  0.299  0.500  1.0
  O  O43  1  0.726  0.274  0.782  1.0
  O  O44  1  0.726  0.274  0.218  1.0
  O  O45  1  0.227  0.227  0.718  1.0
  O  O46  1  0.226  0.226  0.282  1.0
  O  O47  1  0.801  0.199  0.000  1.0
[/CIF]
.
The crystal structure described by Li8La4TiNb7O28 crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(20), and two equivalent O(12) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with four equivalent Li(5)O5 trigonal bipyramids, edges with two equivalent Nb(2)O6 octahedra, and edges with four equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 59-62°. In the second Li site, Li(2) is bonded to one O(10), one O(20), and two equivalent O(12) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with four equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Li(1)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 72-76°. In the third Li site, Li(3) is bonded to one O(11), one O(21), one O(7), and two equivalent O(13) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with four equivalent Li(6)O5 trigonal bipyramids, edges with two equivalent Nb(3)O6 octahedra, and edges with four equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 60°. In the fourth Li site, Li(4) is bonded to one O(11), one O(21), and two equivalent O(13) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with four equivalent Li(4)O4 trigonal pyramids, edges with two equivalent Li(3)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 73-75°. In the fifth Li site, Li(5) is bonded to one O(10), one O(16), one O(20), and two equivalent O(12) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Nb(2)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Nb(4)O6 octahedra, and edges with four equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. In the sixth Li site, Li(6) is bonded to one O(11), one O(18), one O(21), and two equivalent O(13) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Nb(3)O6 octahedra, corners with four equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Nb(5)O6 octahedra, and edges with four equivalent Li(4)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent La sites. In the first La site, La(1,3) is bonded in a 8-coordinate geometry to one O(15), one O(17), two equivalent O(2), two equivalent O(8), and two equivalent O(9) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(16), one O(18), one O(3), one O(5), two equivalent O(14), two equivalent O(19), two equivalent O(4), and two equivalent O(6) atoms. Ti(1) is bonded to one O(10), one O(14), one O(16), one O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Nb(4)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-32°. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(11), one O(14), one O(18), one O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Nb(5)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-32°. In the second Nb site, Nb(2) is bonded to one O(1), one O(12), one O(15), one O(9), and two equivalent O(2) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(3)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-35°. In the third Nb site, Nb(3) is bonded to one O(13), one O(17), one O(7), one O(9), and two equivalent O(8) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Nb(3)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-34°. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(19), one O(20), one O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(5)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-32°. In the fifth Nb site, Nb(5) is bonded to one O(18), one O(19), one O(21), one O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 7-32°. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1) and two equivalent Nb(2) atoms. In the second O site, O(2) is bonded to two equivalent La(1,3) and two equivalent Nb(2) atoms to form distorted OLa2Nb2 trigonal pyramids that share corners with two equivalent O(17)La2Nb2 tetrahedra, corners with two equivalent O(12)Li4Nb trigonal bipyramids, corners with four equivalent O(2)La2Nb2 trigonal pyramids, and edges with two equivalent O(15)La2Nb2 tetrahedra. In the third O site, O(3) is bonded to two equivalent La(2), one Ti(1), and one Nb(4) atom to form distorted OLa2TiNb tetrahedra that share  a cornercorner with one O(20)Li4Nb trigonal bipyramid,  a cornercorner with one O(10)Li4Ti trigonal bipyramid, and  an edgeedge with one O(5)La2Nb2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(2), one Ti(1), and one Nb(4) atom. In the fifth O site, O(5) is bonded to two equivalent La(2), one Nb(1), and one Nb(5) atom to form distorted OLa2Nb2 tetrahedra that share  a cornercorner with one O(11)Li4Nb trigonal bipyramid,  a cornercorner with one O(21)Li4Nb trigonal bipyramid, and  an edgeedge with one O(3)La2TiNb tetrahedra. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(2), one Nb(1), and one Nb(5) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(3) and two equivalent Nb(3) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent La(1,3) and two equivalent Nb(3) atoms. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent La(1,3); one Nb(2); and one Nb(3) atom. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), two equivalent Li(2), and one Ti(1) atom to form distorted OLi4Ti trigonal bipyramids that share  a cornercorner with one O(3)La2TiNb tetrahedra, corners with four equivalent O(20)Li4Nb trigonal bipyramids, and edges with four equivalent O(12)Li4Nb trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one Nb(1) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(5)La2Nb2 tetrahedra, corners with four equivalent O(21)Li4Nb trigonal bipyramids, and edges with four equivalent O(13)Li4Nb trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), two equivalent Li(2), and one Nb(2) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(15)La2Nb2 tetrahedra, corners with four equivalent O(12)Li4Nb trigonal bipyramids, corners with two equivalent O(2)La2Nb2 trigonal pyramids, edges with two equivalent O(20)Li4Nb trigonal bipyramids, and edges with two equivalent O(10)Li4Ti trigonal bipyramids. In the thirteenth O site, O(13) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one Nb(3) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(17)La2Nb2 tetrahedra, corners with four equivalent O(13)Li4Nb trigonal bipyramids, edges with two equivalent O(11)Li4Nb trigonal bipyramids, and edges with two equivalent O(21)Li4Nb trigonal bipyramids. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to four equivalent La(2), one Ti(1), and one Nb(1) atom. In the fifteenth O site, O(15) is bonded to two equivalent La(1,3) and two equivalent Nb(2) atoms to form distorted OLa2Nb2 tetrahedra that share corners with two equivalent O(12)Li4Nb trigonal bipyramids,  an edgeedge with one O(17)La2Nb2 tetrahedra, and edges with four equivalent O(2)La2Nb2 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Li(5), two equivalent La(2), one Ti(1), and one Nb(4) atom. In the seventeenth O site, O(17) is bonded to two equivalent La(1,3) and two equivalent Nb(3) atoms to form distorted OLa2Nb2 tetrahedra that share corners with two equivalent O(13)Li4Nb trigonal bipyramids, corners with four equivalent O(2)La2Nb2 trigonal pyramids, and  an edgeedge with one O(15)La2Nb2 tetrahedra. In the eighteenth O site, O(18) is bonded in a T-shaped geometry to one Li(6), two equivalent La(2), one Nb(1), and one Nb(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to four equivalent La(2), one Nb(4), and one Nb(5) atom. In the twentieth O site, O(20) is bonded to one Li(1), one Li(5), two equivalent Li(2), and one Nb(4) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(3)La2TiNb tetrahedra, corners with four equivalent O(10)Li4Ti trigonal bipyramids, and edges with four equivalent O(12)Li4Nb trigonal bipyramids. In the twenty-first O site, O(21) is bonded to one Li(3), one Li(6), two equivalent Li(4), and one Nb(5) atom to form distorted OLi4Nb trigonal bipyramids that share  a cornercorner with one O(5)La2Nb2 tetrahedra, corners with four equivalent O(11)Li4Nb trigonal bipyramids, and edges with four equivalent O(13)Li4Nb trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8La4TiNb7O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.658
_cell_length_b   5.658
_cell_length_c   18.451
_cell_angle_alpha   89.981
_cell_angle_beta   89.981
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   590.682
_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  0.997  0.997  0.761  1.0
  Li  Li1  1  0.505  0.996  0.746  1.0
  Li  Li2  1  0.999  0.999  0.237  1.0
  Li  Li3  1  0.501  0.999  0.251  1.0
  Li  Li4  1  0.996  0.505  0.746  1.0
  Li  Li5  1  0.507  0.507  0.732  1.0
  Li  Li6  1  0.999  0.501  0.251  1.0
  Li  Li7  1  0.501  0.501  0.265  1.0
  La  La8  1  0.760  0.760  1.000  1.0
  La  La9  1  0.261  0.742  0.506  1.0
  La  La10  1  0.742  0.261  0.506  1.0
  La  La11  1  0.240  0.240  1.000  1.0
  Ti  Ti12  1  0.752  0.752  0.616  1.0
  Nb  Nb13  1  0.752  0.752  0.387  1.0
  Nb  Nb14  1  0.252  0.748  0.884  1.0
  Nb  Nb15  1  0.252  0.748  0.116  1.0
  Nb  Nb16  1  0.748  0.252  0.884  1.0
  Nb  Nb17  1  0.748  0.252  0.116  1.0
  Nb  Nb18  1  0.248  0.248  0.616  1.0
  Nb  Nb19  1  0.248  0.248  0.385  1.0
  O  O20  1  1.000  1.000  0.881  1.0
  O  O21  1  0.500  1.000  0.905  1.0
  O  O22  1  0.999  0.999  0.585  1.0
  O  O23  1  0.501  0.998  0.597  1.0
  O  O24  1  0.000  0.000  0.417  1.0
  O  O25  1  0.499  0.000  0.403  1.0
  O  O26  1  1.000  1.000  0.120  1.0
  O  O27  1  0.500  1.000  0.096  1.0
  O  O28  1  0.199  0.801  0.000  1.0
  O  O29  1  0.771  0.771  0.714  1.0
  O  O30  1  0.773  0.773  0.283  1.0
  O  O31  1  0.274  0.726  0.782  1.0
  O  O32  1  0.274  0.726  0.218  1.0
  O  O33  1  0.699  0.699  0.500  1.0
  O  O34  1  0.500  0.500  0.918  1.0
  O  O35  1  1.000  0.500  0.905  1.0
  O  O36  1  0.998  0.501  0.597  1.0
  O  O37  1  0.501  0.501  0.618  1.0
  O  O38  1  1.000  0.500  0.096  1.0
  O  O39  1  0.500  0.500  0.083  1.0
  O  O40  1  0.000  0.499  0.403  1.0
  O  O41  1  0.499  0.499  0.379  1.0
  O  O42  1  0.299  0.299  0.500  1.0
  O  O43  1  0.726  0.274  0.782  1.0
  O  O44  1  0.726  0.274  0.218  1.0
  O  O45  1  0.227  0.227  0.718  1.0
  O  O46  1  0.226  0.226  0.282  1.0
  O  O47  1  0.801  0.199  0.000  1.0
[/CIF]
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