The crystal structure described by NaSr3LaTi5O15 crystallizes in the tetragonal I-42m space group. Na(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(6), four equivalent O(7), and four equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, and faces with eight equivalent Ti(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to four equivalent O(6), four equivalent O(7), and four equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with eight equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Ti(2)O6 octahedra. La(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)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 two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second Ti site, Ti(2) is bonded to one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with five equivalent Ti(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Ti site, Ti(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(3), one La(1), and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(3), one La(1), and two equivalent Ti(3) atoms. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Ti(2), and one Ti(3) atom to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Ti(2) atoms. In the eighth O site, O(8) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSr3LaTi5O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.106
_cell_length_b   20.106
_cell_length_c   20.106
_cell_angle_alpha   164.174
_cell_angle_beta   164.174
_cell_angle_gamma   22.453
_symmetry_Int_Tables_number   1
_cell_volume   604.396
_cell_formula_units_Z   2
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  0.800  0.800  0.000  1.0
  Na  Na1  1  0.200  0.200  0.000  1.0
  Sr  Sr2  1  0.600  0.600  0.000  1.0
  Sr  Sr3  1  0.000  0.000  0.000  1.0
  Sr  Sr4  1  0.101  0.101  0.000  1.0
  Sr  Sr5  1  0.400  0.400  0.000  1.0
  Sr  Sr6  1  0.500  0.500  0.000  1.0
  Sr  Sr7  1  0.899  0.899  0.000  1.0
  La  La8  1  0.300  0.300  0.000  1.0
  La  La9  1  0.700  0.700  0.000  1.0
  Ti  Ti10  1  0.250  0.750  0.500  1.0
  Ti  Ti11  1  0.750  0.250  0.500  1.0
  Ti  Ti12  1  0.050  0.550  0.500  1.0
  Ti  Ti13  1  0.151  0.651  0.500  1.0
  Ti  Ti14  1  0.450  0.950  0.500  1.0
  Ti  Ti15  1  0.550  0.050  0.500  1.0
  Ti  Ti16  1  0.651  0.151  0.500  1.0
  Ti  Ti17  1  0.849  0.349  0.500  1.0
  Ti  Ti18  1  0.950  0.450  0.500  1.0
  Ti  Ti19  1  0.349  0.849  0.500  1.0
  O  O20  1  0.299  0.799  0.500  1.0
  O  O21  1  0.953  0.953  0.407  1.0
  O  O22  1  0.455  0.047  0.000  1.0
  O  O23  1  0.701  0.201  0.500  1.0
  O  O24  1  0.799  0.299  0.500  1.0
  O  O25  1  0.375  0.375  0.448  1.0
  O  O26  1  0.047  0.455  0.000  1.0
  O  O27  1  0.865  0.439  0.000  1.0
  O  O28  1  0.545  0.545  0.593  1.0
  O  O29  1  0.101  0.601  0.500  1.0
  O  O30  1  0.201  0.701  0.500  1.0
  O  O31  1  0.780  0.780  0.460  1.0
  O  O32  1  0.439  0.865  0.000  1.0
  O  O33  1  0.280  0.821  0.000  1.0
  O  O34  1  0.927  0.927  0.552  1.0
  O  O35  1  0.500  0.000  0.500  1.0
  O  O36  1  0.601  0.101  0.500  1.0
  O  O37  1  0.179  0.179  0.460  1.0
  O  O38  1  0.821  0.280  0.000  1.0
  O  O39  1  0.680  0.220  0.000  1.0
  O  O40  1  0.320  0.320  0.540  1.0
  O  O41  1  0.899  0.399  0.500  1.0
  O  O42  1  0.000  0.500  0.500  1.0
  O  O43  1  0.561  0.561  0.426  1.0
  O  O44  1  0.220  0.680  0.000  1.0
  O  O45  1  0.073  0.625  0.000  1.0
  O  O46  1  0.720  0.720  0.540  1.0
  O  O47  1  0.399  0.899  0.500  1.0
  O  O48  1  0.625  0.073  0.000  1.0
  O  O49  1  0.135  0.135  0.574  1.0
[/CIF]
.
The crystal structure described by NaSr3LaTi5O15 crystallizes in the tetragonal I-42m space group. Na(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(6), four equivalent O(7), and four equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, and faces with eight equivalent Ti(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Ti(3)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to four equivalent O(6), four equivalent O(7), and four equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with eight equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Ti(2)O6 octahedra. La(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form distorted LaO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)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 two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-21°. In the second Ti site, Ti(2) is bonded to one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with five equivalent Ti(2)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Ti site, Ti(3) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(3), one La(1), and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(3), one La(1), and two equivalent Ti(3) atoms. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Ti(2), and one Ti(3) atom to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Ti(2) atoms. In the eighth O site, O(8) is bonded to two equivalent Sr(2), two equivalent Sr(4), and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSr3LaTi5O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.106
_cell_length_b   20.106
_cell_length_c   20.106
_cell_angle_alpha   164.174
_cell_angle_beta   164.174
_cell_angle_gamma   22.453
_symmetry_Int_Tables_number   1
_cell_volume   604.396
_cell_formula_units_Z   2
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  0.800  0.800  0.000  1.0
  Na  Na1  1  0.200  0.200  0.000  1.0
  Sr  Sr2  1  0.600  0.600  0.000  1.0
  Sr  Sr3  1  0.000  0.000  0.000  1.0
  Sr  Sr4  1  0.101  0.101  0.000  1.0
  Sr  Sr5  1  0.400  0.400  0.000  1.0
  Sr  Sr6  1  0.500  0.500  0.000  1.0
  Sr  Sr7  1  0.899  0.899  0.000  1.0
  La  La8  1  0.300  0.300  0.000  1.0
  La  La9  1  0.700  0.700  0.000  1.0
  Ti  Ti10  1  0.250  0.750  0.500  1.0
  Ti  Ti11  1  0.750  0.250  0.500  1.0
  Ti  Ti12  1  0.050  0.550  0.500  1.0
  Ti  Ti13  1  0.151  0.651  0.500  1.0
  Ti  Ti14  1  0.450  0.950  0.500  1.0
  Ti  Ti15  1  0.550  0.050  0.500  1.0
  Ti  Ti16  1  0.651  0.151  0.500  1.0
  Ti  Ti17  1  0.849  0.349  0.500  1.0
  Ti  Ti18  1  0.950  0.450  0.500  1.0
  Ti  Ti19  1  0.349  0.849  0.500  1.0
  O  O20  1  0.299  0.799  0.500  1.0
  O  O21  1  0.953  0.953  0.407  1.0
  O  O22  1  0.455  0.047  0.000  1.0
  O  O23  1  0.701  0.201  0.500  1.0
  O  O24  1  0.799  0.299  0.500  1.0
  O  O25  1  0.375  0.375  0.448  1.0
  O  O26  1  0.047  0.455  0.000  1.0
  O  O27  1  0.865  0.439  0.000  1.0
  O  O28  1  0.545  0.545  0.593  1.0
  O  O29  1  0.101  0.601  0.500  1.0
  O  O30  1  0.201  0.701  0.500  1.0
  O  O31  1  0.780  0.780  0.460  1.0
  O  O32  1  0.439  0.865  0.000  1.0
  O  O33  1  0.280  0.821  0.000  1.0
  O  O34  1  0.927  0.927  0.552  1.0
  O  O35  1  0.500  0.000  0.500  1.0
  O  O36  1  0.601  0.101  0.500  1.0
  O  O37  1  0.179  0.179  0.460  1.0
  O  O38  1  0.821  0.280  0.000  1.0
  O  O39  1  0.680  0.220  0.000  1.0
  O  O40  1  0.320  0.320  0.540  1.0
  O  O41  1  0.899  0.399  0.500  1.0
  O  O42  1  0.000  0.500  0.500  1.0
  O  O43  1  0.561  0.561  0.426  1.0
  O  O44  1  0.220  0.680  0.000  1.0
  O  O45  1  0.073  0.625  0.000  1.0
  O  O46  1  0.720  0.720  0.540  1.0
  O  O47  1  0.399  0.899  0.500  1.0
  O  O48  1  0.625  0.073  0.000  1.0
  O  O49  1  0.135  0.135  0.574  1.0
[/CIF]
.