The structure described by Li2La3Ti2Nb2O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(12), two equivalent O(13), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second La site, La(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. In the third La site, La(3) is bonded to two equivalent O(10), two equivalent O(12), two equivalent O(13), two equivalent O(9), and four equivalent O(11) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(7), two equivalent 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(1)O6 octahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the second Nb site, Nb(2) is bonded to one O(11), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(2), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent La(2), and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(2) and two equivalent Nb(1) atoms. In the seventh O site, O(7) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the eighth O site, O(8) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(2) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to four equivalent La(3), one Ti(2), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2La3Ti2Nb2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.097
_cell_length_b   17.097
_cell_length_c   4.013
_cell_angle_alpha   83.401
_cell_angle_beta   83.401
_cell_angle_gamma   13.474
_symmetry_Int_Tables_number   1
_cell_volume   271.493
_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  0.755  0.755  0.744  1.0
  Li  Li1  1  0.254  0.254  0.248  1.0
  La  La2  1  0.504  0.504  0.488  1.0
  La  La3  1  0.385  0.385  0.631  1.0
  La  La4  1  0.624  0.624  0.376  1.0
  Ti  Ti5  1  0.946  0.946  0.057  1.0
  Ti  Ti6  1  0.062  0.062  0.939  1.0
  Nb  Nb7  1  0.825  0.825  0.181  1.0
  Nb  Nb8  1  0.184  0.184  0.817  1.0
  O  O9  1  0.004  0.004  0.004  1.0
  O  O10  1  0.947  0.947  0.557  1.0
  O  O11  1  0.446  0.446  0.057  1.0
  O  O12  1  0.888  0.888  0.112  1.0
  O  O13  1  0.833  0.833  0.671  1.0
  O  O14  1  0.334  0.334  0.174  1.0
  O  O15  1  0.769  0.769  0.231  1.0
  O  O16  1  0.240  0.240  0.758  1.0
  O  O17  1  0.675  0.675  0.827  1.0
  O  O18  1  0.175  0.175  0.325  1.0
  O  O19  1  0.121  0.121  0.876  1.0
  O  O20  1  0.562  0.562  0.940  1.0
  O  O21  1  0.062  0.062  0.440  1.0
[/CIF]
.
The structure described by Li2La3Ti2Nb2O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(12), two equivalent O(13), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second La site, La(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. In the third La site, La(3) is bonded to two equivalent O(10), two equivalent O(12), two equivalent O(13), two equivalent O(9), and four equivalent O(11) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(7), two equivalent 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(1)O6 octahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the second Nb site, Nb(2) is bonded to one O(11), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(2), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent La(2), and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(2) and two equivalent Nb(1) atoms. In the seventh O site, O(7) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the eighth O site, O(8) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(2) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to four equivalent La(3), one Ti(2), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2La3Ti2Nb2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.097
_cell_length_b   17.097
_cell_length_c   4.013
_cell_angle_alpha   83.401
_cell_angle_beta   83.401
_cell_angle_gamma   13.474
_symmetry_Int_Tables_number   1
_cell_volume   271.493
_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  0.755  0.755  0.744  1.0
  Li  Li1  1  0.254  0.254  0.248  1.0
  La  La2  1  0.504  0.504  0.488  1.0
  La  La3  1  0.385  0.385  0.631  1.0
  La  La4  1  0.624  0.624  0.376  1.0
  Ti  Ti5  1  0.946  0.946  0.057  1.0
  Ti  Ti6  1  0.062  0.062  0.939  1.0
  Nb  Nb7  1  0.825  0.825  0.181  1.0
  Nb  Nb8  1  0.184  0.184  0.817  1.0
  O  O9  1  0.004  0.004  0.004  1.0
  O  O10  1  0.947  0.947  0.557  1.0
  O  O11  1  0.446  0.446  0.057  1.0
  O  O12  1  0.888  0.888  0.112  1.0
  O  O13  1  0.833  0.833  0.671  1.0
  O  O14  1  0.334  0.334  0.174  1.0
  O  O15  1  0.769  0.769  0.231  1.0
  O  O16  1  0.240  0.240  0.758  1.0
  O  O17  1  0.675  0.675  0.827  1.0
  O  O18  1  0.175  0.175  0.325  1.0
  O  O19  1  0.121  0.121  0.876  1.0
  O  O20  1  0.562  0.562  0.940  1.0
  O  O21  1  0.062  0.062  0.440  1.0
[/CIF]
.