The crystal structure described by NaLi2La3Ti6O18 crystallizes in the monoclinic C2 space group. Na(1) is bonded to one O(5), one O(9), two equivalent O(1), two equivalent O(11), two equivalent O(12), two equivalent O(4), and two equivalent O(7) atoms to form NaO12 cuboctahedra that share corners with two equivalent Na(1)O12 cuboctahedra, corners with five equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(2), and one O(7) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded to one O(2), one O(9), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(1)O12 cuboctahedra, corners with five equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second La site, La(2) is bonded to one O(10), one O(12), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(2)O12 cuboctahedra, corners with five equivalent La(3)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the third La site, La(3) is bonded to one O(12), one O(6), two equivalent O(11), two equivalent O(3), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form LaO12 cuboctahedra that share corners with two equivalent La(3)O12 cuboctahedra, corners with five equivalent La(2)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two 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 to one O(1), one O(11), one O(12), one O(2), one O(4), 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(1)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), 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(3)O6 octahedra,  a faceface with one Na(1)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(3), one O(7), 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(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a faceface with one Na(1)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one La(1), and two equivalent Ti(1) atoms to form distorted OLi2LaTi2 trigonal bipyramids that share corners with two equivalent O(8)La3Ti2 square pyramids and corners with two equivalent O(10)Li2LaTi2 trigonal bipyramids. In the third O site, O(3) is bonded in a 2-coordinate 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 2-coordinate geometry to one Na(1), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Na(1), two equivalent La(2), and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a distorted linear geometry to one La(3), two equivalent La(1), and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Li(1), one La(3), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom to form distorted OLa3Ti2 square pyramids that share corners with three equivalent O(8)La3Ti2 square pyramids,  a cornercorner with one O(2)Li2LaTi2 trigonal bipyramid, and  an edgeedge with one O(10)Li2LaTi2 trigonal bipyramid. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Na(1), one La(1), two equivalent La(3), and two equivalent Ti(3) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(1), one La(2), and two equivalent Ti(3) atoms to form distorted OLi2LaTi2 trigonal bipyramids that share corners with two equivalent O(2)Li2LaTi2 trigonal bipyramids and edges with two equivalent O(8)La3Ti2 square pyramids. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Na(1), one Li(1), one La(3), one Ti(1), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to two equivalent Na(1), one La(2), one La(3), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaLi2La3Ti6O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.567
_cell_length_b   9.567
_cell_length_c   5.558
_cell_angle_alpha   73.133
_cell_angle_beta   73.133
_cell_angle_gamma   119.674
_symmetry_Int_Tables_number   1
_cell_volume   360.839
_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
  Na  Na0  1  0.250  0.750  0.000  1.0
  Li  Li1  1  0.834  0.167  0.753  1.0
  Li  Li2  1  0.833  0.166  0.247  1.0
  La  La3  1  0.587  0.413  0.000  1.0
  La  La4  1  0.080  0.920  0.500  1.0
  La  La5  1  0.417  0.583  0.500  1.0
  Ti  Ti6  1  0.005  0.504  0.743  1.0
  Ti  Ti7  1  0.334  0.161  0.751  1.0
  Ti  Ti8  1  0.661  0.834  0.756  1.0
  Ti  Ti9  1  0.496  0.995  0.257  1.0
  Ti  Ti10  1  0.839  0.666  0.249  1.0
  Ti  Ti11  1  0.166  0.339  0.244  1.0
  O  O12  1  0.389  0.077  0.048  1.0
  O  O13  1  0.744  0.256  0.000  1.0
  O  O14  1  0.923  0.611  0.952  1.0
  O  O15  1  0.720  0.725  0.034  1.0
  O  O16  1  0.398  0.065  0.518  1.0
  O  O17  1  0.076  0.924  0.000  1.0
  O  O18  1  0.587  0.413  0.500  1.0
  O  O19  1  0.275  0.280  0.966  1.0
  O  O20  1  0.935  0.602  0.482  1.0
  O  O21  1  0.077  0.416  0.013  1.0
  O  O22  1  0.735  0.719  0.547  1.0
  O  O23  1  0.410  0.590  0.000  1.0
  O  O24  1  0.923  0.077  0.500  1.0
  O  O25  1  0.584  0.923  0.987  1.0
  O  O26  1  0.281  0.265  0.453  1.0
  O  O27  1  0.088  0.407  0.523  1.0
  O  O28  1  0.260  0.740  0.500  1.0
  O  O29  1  0.593  0.912  0.477  1.0
[/CIF]
.
The crystal structure described by NaLi2La3Ti6O18 crystallizes in the monoclinic C2 space group. Na(1) is bonded to one O(5), one O(9), two equivalent O(1), two equivalent O(11), two equivalent O(12), two equivalent O(4), and two equivalent O(7) atoms to form NaO12 cuboctahedra that share corners with two equivalent Na(1)O12 cuboctahedra, corners with five equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(1)O6 octahedra. Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(2), and one O(7) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded to one O(2), one O(9), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(1)O12 cuboctahedra, corners with five equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second La site, La(2) is bonded to one O(10), one O(12), two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form distorted LaO12 cuboctahedra that share corners with two equivalent La(2)O12 cuboctahedra, corners with five equivalent La(3)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the third La site, La(3) is bonded to one O(12), one O(6), two equivalent O(11), two equivalent O(3), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form LaO12 cuboctahedra that share corners with two equivalent La(3)O12 cuboctahedra, corners with five equivalent La(2)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two 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 to one O(1), one O(11), one O(12), one O(2), one O(4), 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(1)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), 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(3)O6 octahedra,  a faceface with one Na(1)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with two equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the third Ti site, Ti(3) is bonded to one O(10), one O(11), one O(3), one O(7), 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(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a faceface with one Na(1)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-14°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one La(1), and two equivalent Ti(1) atoms to form distorted OLi2LaTi2 trigonal bipyramids that share corners with two equivalent O(8)La3Ti2 square pyramids and corners with two equivalent O(10)Li2LaTi2 trigonal bipyramids. In the third O site, O(3) is bonded in a 2-coordinate 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 2-coordinate geometry to one Na(1), one La(1), one La(2), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Na(1), two equivalent La(2), and two equivalent Ti(2) atoms. In the sixth O site, O(6) is bonded in a distorted linear geometry to one La(3), two equivalent La(1), and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Li(1), one La(3), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one La(1), one La(2), one La(3), one Ti(2), and one Ti(3) atom to form distorted OLa3Ti2 square pyramids that share corners with three equivalent O(8)La3Ti2 square pyramids,  a cornercorner with one O(2)Li2LaTi2 trigonal bipyramid, and  an edgeedge with one O(10)Li2LaTi2 trigonal bipyramid. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Na(1), one La(1), two equivalent La(3), and two equivalent Ti(3) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(1), one La(2), and two equivalent Ti(3) atoms to form distorted OLi2LaTi2 trigonal bipyramids that share corners with two equivalent O(2)Li2LaTi2 trigonal bipyramids and edges with two equivalent O(8)La3Ti2 square pyramids. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Na(1), one Li(1), one La(3), one Ti(1), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to two equivalent Na(1), one La(2), one La(3), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaLi2La3Ti6O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.567
_cell_length_b   9.567
_cell_length_c   5.558
_cell_angle_alpha   73.133
_cell_angle_beta   73.133
_cell_angle_gamma   119.674
_symmetry_Int_Tables_number   1
_cell_volume   360.839
_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
  Na  Na0  1  0.250  0.750  0.000  1.0
  Li  Li1  1  0.834  0.167  0.753  1.0
  Li  Li2  1  0.833  0.166  0.247  1.0
  La  La3  1  0.587  0.413  0.000  1.0
  La  La4  1  0.080  0.920  0.500  1.0
  La  La5  1  0.417  0.583  0.500  1.0
  Ti  Ti6  1  0.005  0.504  0.743  1.0
  Ti  Ti7  1  0.334  0.161  0.751  1.0
  Ti  Ti8  1  0.661  0.834  0.756  1.0
  Ti  Ti9  1  0.496  0.995  0.257  1.0
  Ti  Ti10  1  0.839  0.666  0.249  1.0
  Ti  Ti11  1  0.166  0.339  0.244  1.0
  O  O12  1  0.389  0.077  0.048  1.0
  O  O13  1  0.744  0.256  0.000  1.0
  O  O14  1  0.923  0.611  0.952  1.0
  O  O15  1  0.720  0.725  0.034  1.0
  O  O16  1  0.398  0.065  0.518  1.0
  O  O17  1  0.076  0.924  0.000  1.0
  O  O18  1  0.587  0.413  0.500  1.0
  O  O19  1  0.275  0.280  0.966  1.0
  O  O20  1  0.935  0.602  0.482  1.0
  O  O21  1  0.077  0.416  0.013  1.0
  O  O22  1  0.735  0.719  0.547  1.0
  O  O23  1  0.410  0.590  0.000  1.0
  O  O24  1  0.923  0.077  0.500  1.0
  O  O25  1  0.584  0.923  0.987  1.0
  O  O26  1  0.281  0.265  0.453  1.0
  O  O27  1  0.088  0.407  0.523  1.0
  O  O28  1  0.260  0.740  0.500  1.0
  O  O29  1  0.593  0.912  0.477  1.0
[/CIF]
.