The compound described by Ba2La3Ti2Nb2O15 crystallizes in the trigonal P-3c1 space group. Ba(1) is bonded in a 12-coordinate geometry to three equivalent O(3) and nine equivalent O(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(3) atoms. Ti(1) is bonded to three equivalent O(1) and three equivalent O(3) 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 19-21°. Nb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NbO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one La(2) and two equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one La(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ba2La3Ti2Nb2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   23.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   663.048
_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  0.537  1.0
  Ba  Ba1  1  0.667  0.333  0.463  1.0
  Ba  Ba2  1  0.667  0.333  0.963  1.0
  Ba  Ba3  1  0.333  0.667  0.037  1.0
  La  La4  1  0.333  0.667  0.856  1.0
  La  La5  1  0.667  0.333  0.144  1.0
  La  La6  1  0.667  0.333  0.644  1.0
  La  La7  1  0.333  0.667  0.356  1.0
  La  La8  1  0.000  0.000  0.750  1.0
  La  La9  1  0.000  0.000  0.250  1.0
  Ti  Ti10  1  0.333  0.667  0.704  1.0
  Ti  Ti11  1  0.667  0.333  0.296  1.0
  Ti  Ti12  1  0.667  0.333  0.796  1.0
  Ti  Ti13  1  0.333  0.667  0.204  1.0
  Nb  Nb14  1  0.000  0.000  0.599  1.0
  Nb  Nb15  1  0.000  0.000  0.401  1.0
  Nb  Nb16  1  0.000  0.000  0.901  1.0
  Nb  Nb17  1  0.000  0.000  0.099  1.0
  O  O18  1  0.441  0.000  0.750  1.0
  O  O19  1  0.559  0.000  0.250  1.0
  O  O20  1  0.000  0.441  0.750  1.0
  O  O21  1  0.000  0.559  0.250  1.0
  O  O22  1  0.559  0.559  0.750  1.0
  O  O23  1  0.441  0.441  0.250  1.0
  O  O24  1  0.341  0.136  0.561  1.0
  O  O25  1  0.659  0.864  0.439  1.0
  O  O26  1  0.864  0.205  0.561  1.0
  O  O27  1  0.136  0.341  0.939  1.0
  O  O28  1  0.136  0.795  0.439  1.0
  O  O29  1  0.864  0.659  0.061  1.0
  O  O30  1  0.795  0.659  0.561  1.0
  O  O31  1  0.205  0.864  0.939  1.0
  O  O32  1  0.205  0.341  0.439  1.0
  O  O33  1  0.795  0.136  0.061  1.0
  O  O34  1  0.659  0.795  0.939  1.0
  O  O35  1  0.341  0.205  0.061  1.0
  O  O36  1  0.225  0.326  0.658  1.0
  O  O37  1  0.775  0.674  0.342  1.0
  O  O38  1  0.674  0.898  0.658  1.0
  O  O39  1  0.326  0.225  0.842  1.0
  O  O40  1  0.326  0.102  0.342  1.0
  O  O41  1  0.674  0.775  0.158  1.0
  O  O42  1  0.102  0.775  0.658  1.0
  O  O43  1  0.898  0.674  0.842  1.0
  O  O44  1  0.898  0.225  0.342  1.0
  O  O45  1  0.102  0.326  0.158  1.0
  O  O46  1  0.775  0.102  0.842  1.0
  O  O47  1  0.225  0.898  0.158  1.0
[/CIF]
.
The compound described by Ba2La3Ti2Nb2O15 crystallizes in the trigonal P-3c1 space group. Ba(1) is bonded in a 12-coordinate geometry to three equivalent O(3) and nine equivalent O(2) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(3) atoms. Ti(1) is bonded to three equivalent O(1) and three equivalent O(3) 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 19-21°. Nb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NbO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one La(1), one La(2), one Ti(1), and one Nb(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one La(2) and two equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a 1-coordinate geometry to three equivalent Ba(1), one La(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ba2La3Ti2Nb2O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   23.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   663.048
_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  0.537  1.0
  Ba  Ba1  1  0.667  0.333  0.463  1.0
  Ba  Ba2  1  0.667  0.333  0.963  1.0
  Ba  Ba3  1  0.333  0.667  0.037  1.0
  La  La4  1  0.333  0.667  0.856  1.0
  La  La5  1  0.667  0.333  0.144  1.0
  La  La6  1  0.667  0.333  0.644  1.0
  La  La7  1  0.333  0.667  0.356  1.0
  La  La8  1  0.000  0.000  0.750  1.0
  La  La9  1  0.000  0.000  0.250  1.0
  Ti  Ti10  1  0.333  0.667  0.704  1.0
  Ti  Ti11  1  0.667  0.333  0.296  1.0
  Ti  Ti12  1  0.667  0.333  0.796  1.0
  Ti  Ti13  1  0.333  0.667  0.204  1.0
  Nb  Nb14  1  0.000  0.000  0.599  1.0
  Nb  Nb15  1  0.000  0.000  0.401  1.0
  Nb  Nb16  1  0.000  0.000  0.901  1.0
  Nb  Nb17  1  0.000  0.000  0.099  1.0
  O  O18  1  0.441  0.000  0.750  1.0
  O  O19  1  0.559  0.000  0.250  1.0
  O  O20  1  0.000  0.441  0.750  1.0
  O  O21  1  0.000  0.559  0.250  1.0
  O  O22  1  0.559  0.559  0.750  1.0
  O  O23  1  0.441  0.441  0.250  1.0
  O  O24  1  0.341  0.136  0.561  1.0
  O  O25  1  0.659  0.864  0.439  1.0
  O  O26  1  0.864  0.205  0.561  1.0
  O  O27  1  0.136  0.341  0.939  1.0
  O  O28  1  0.136  0.795  0.439  1.0
  O  O29  1  0.864  0.659  0.061  1.0
  O  O30  1  0.795  0.659  0.561  1.0
  O  O31  1  0.205  0.864  0.939  1.0
  O  O32  1  0.205  0.341  0.439  1.0
  O  O33  1  0.795  0.136  0.061  1.0
  O  O34  1  0.659  0.795  0.939  1.0
  O  O35  1  0.341  0.205  0.061  1.0
  O  O36  1  0.225  0.326  0.658  1.0
  O  O37  1  0.775  0.674  0.342  1.0
  O  O38  1  0.674  0.898  0.658  1.0
  O  O39  1  0.326  0.225  0.842  1.0
  O  O40  1  0.326  0.102  0.342  1.0
  O  O41  1  0.674  0.775  0.158  1.0
  O  O42  1  0.102  0.775  0.658  1.0
  O  O43  1  0.898  0.674  0.842  1.0
  O  O44  1  0.898  0.225  0.342  1.0
  O  O45  1  0.102  0.326  0.158  1.0
  O  O46  1  0.775  0.102  0.842  1.0
  O  O47  1  0.225  0.898  0.158  1.0
[/CIF]
.