The crystal structure described by Ba2La3Ti3NbO15 crystallizes in the trigonal P3c1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(3), and six equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(4), and six equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(5) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(5) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the second Ti site, Ti(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. In the third Ti site, Ti(3) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 21°. Nb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), one La(1), and one Ti(3) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one La(2), one La(3), one Ti(1), and one Ti(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one La(1), one La(3), one Ti(1), and one Ti(3) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one La(2), one La(3), one Ti(2), and one Nb(1) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), one La(2), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ba2La3Ti3NbO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.668
_cell_length_b   5.668
_cell_length_c   23.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   651.612
_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
  Ba  Ba0  1  0.333  0.667  0.039  1.0
  Ba  Ba1  1  0.333  0.667  0.539  1.0
  Ba  Ba2  1  0.667  0.333  0.966  1.0
  Ba  Ba3  1  0.667  0.333  0.466  1.0
  La  La4  1  0.667  0.333  0.139  1.0
  La  La5  1  0.667  0.333  0.639  1.0
  La  La6  1  0.333  0.667  0.853  1.0
  La  La7  1  0.333  0.667  0.353  1.0
  La  La8  1  0.000  0.000  0.248  1.0
  La  La9  1  0.000  0.000  0.748  1.0
  Ti  Ti10  1  0.333  0.667  0.198  1.0
  Ti  Ti11  1  0.333  0.667  0.698  1.0
  Ti  Ti12  1  0.667  0.333  0.797  1.0
  Ti  Ti13  1  0.667  0.333  0.297  1.0
  Ti  Ti14  1  0.000  0.000  0.096  1.0
  Ti  Ti15  1  0.000  0.000  0.596  1.0
  Nb  Nb16  1  0.000  0.000  0.902  1.0
  Nb  Nb17  1  0.000  0.000  0.402  1.0
  O  O18  1  0.218  0.887  0.159  1.0
  O  O19  1  0.669  0.782  0.159  1.0
  O  O20  1  0.113  0.331  0.159  1.0
  O  O21  1  0.218  0.331  0.659  1.0
  O  O22  1  0.113  0.782  0.659  1.0
  O  O23  1  0.669  0.887  0.659  1.0
  O  O24  1  0.777  0.106  0.842  1.0
  O  O25  1  0.329  0.223  0.842  1.0
  O  O26  1  0.894  0.671  0.842  1.0
  O  O27  1  0.777  0.671  0.342  1.0
  O  O28  1  0.894  0.223  0.342  1.0
  O  O29  1  0.329  0.106  0.342  1.0
  O  O30  1  0.658  0.797  0.938  1.0
  O  O31  1  0.139  0.342  0.938  1.0
  O  O32  1  0.203  0.861  0.938  1.0
  O  O33  1  0.658  0.861  0.438  1.0
  O  O34  1  0.203  0.342  0.438  1.0
  O  O35  1  0.139  0.797  0.438  1.0
  O  O36  1  0.334  0.195  0.062  1.0
  O  O37  1  0.861  0.666  0.062  1.0
  O  O38  1  0.805  0.139  0.062  1.0
  O  O39  1  0.334  0.139  0.562  1.0
  O  O40  1  0.805  0.666  0.562  1.0
  O  O41  1  0.861  0.195  0.562  1.0
  O  O42  1  0.558  0.999  0.252  1.0
  O  O43  1  0.441  0.442  0.252  1.0
  O  O44  1  0.001  0.559  0.252  1.0
  O  O45  1  0.558  0.559  0.752  1.0
  O  O46  1  0.001  0.442  0.752  1.0
  O  O47  1  0.441  0.999  0.752  1.0
[/CIF]
.
The crystal structure described by Ba2La3Ti3NbO15 crystallizes in the trigonal P3c1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(3), and six equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(4), and six equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(5) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(5) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the second Ti site, Ti(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. In the third Ti site, Ti(3) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 21°. Nb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(1), one La(1), and one Ti(3) atom. In the second O site, O(5) is bonded in a 3-coordinate geometry to one La(2), one La(3), one Ti(1), and one Ti(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one La(1), one La(3), one Ti(1), and one Ti(3) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one La(2), one La(3), one Ti(2), and one Nb(1) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), one La(2), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ba2La3Ti3NbO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.668
_cell_length_b   5.668
_cell_length_c   23.423
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   651.612
_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
  Ba  Ba0  1  0.333  0.667  0.039  1.0
  Ba  Ba1  1  0.333  0.667  0.539  1.0
  Ba  Ba2  1  0.667  0.333  0.966  1.0
  Ba  Ba3  1  0.667  0.333  0.466  1.0
  La  La4  1  0.667  0.333  0.139  1.0
  La  La5  1  0.667  0.333  0.639  1.0
  La  La6  1  0.333  0.667  0.853  1.0
  La  La7  1  0.333  0.667  0.353  1.0
  La  La8  1  0.000  0.000  0.248  1.0
  La  La9  1  0.000  0.000  0.748  1.0
  Ti  Ti10  1  0.333  0.667  0.198  1.0
  Ti  Ti11  1  0.333  0.667  0.698  1.0
  Ti  Ti12  1  0.667  0.333  0.797  1.0
  Ti  Ti13  1  0.667  0.333  0.297  1.0
  Ti  Ti14  1  0.000  0.000  0.096  1.0
  Ti  Ti15  1  0.000  0.000  0.596  1.0
  Nb  Nb16  1  0.000  0.000  0.902  1.0
  Nb  Nb17  1  0.000  0.000  0.402  1.0
  O  O18  1  0.218  0.887  0.159  1.0
  O  O19  1  0.669  0.782  0.159  1.0
  O  O20  1  0.113  0.331  0.159  1.0
  O  O21  1  0.218  0.331  0.659  1.0
  O  O22  1  0.113  0.782  0.659  1.0
  O  O23  1  0.669  0.887  0.659  1.0
  O  O24  1  0.777  0.106  0.842  1.0
  O  O25  1  0.329  0.223  0.842  1.0
  O  O26  1  0.894  0.671  0.842  1.0
  O  O27  1  0.777  0.671  0.342  1.0
  O  O28  1  0.894  0.223  0.342  1.0
  O  O29  1  0.329  0.106  0.342  1.0
  O  O30  1  0.658  0.797  0.938  1.0
  O  O31  1  0.139  0.342  0.938  1.0
  O  O32  1  0.203  0.861  0.938  1.0
  O  O33  1  0.658  0.861  0.438  1.0
  O  O34  1  0.203  0.342  0.438  1.0
  O  O35  1  0.139  0.797  0.438  1.0
  O  O36  1  0.334  0.195  0.062  1.0
  O  O37  1  0.861  0.666  0.062  1.0
  O  O38  1  0.805  0.139  0.062  1.0
  O  O39  1  0.334  0.139  0.562  1.0
  O  O40  1  0.805  0.666  0.562  1.0
  O  O41  1  0.861  0.195  0.562  1.0
  O  O42  1  0.558  0.999  0.252  1.0
  O  O43  1  0.441  0.442  0.252  1.0
  O  O44  1  0.001  0.559  0.252  1.0
  O  O45  1  0.558  0.559  0.752  1.0
  O  O46  1  0.001  0.442  0.752  1.0
  O  O47  1  0.441  0.999  0.752  1.0
[/CIF]
.