The compound described by BaLa4Ti4O15 crystallizes in the trigonal P-3c1 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with six equivalent Ti(1)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(3) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the second Ti site, Ti(2) 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  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Ti(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), two equivalent La(2), one Ti(1), and one Ti(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_BaLa4Ti4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.630
_cell_length_c   22.227
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   610.064
_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  0.000  0.000  0.250  1.0
  Ba  Ba1  1  0.000  0.000  0.750  1.0
  La  La2  1  0.333  0.667  0.039  1.0
  La  La3  1  0.333  0.667  0.539  1.0
  La  La4  1  0.667  0.333  0.961  1.0
  La  La5  1  0.667  0.333  0.461  1.0
  La  La6  1  0.667  0.333  0.142  1.0
  La  La7  1  0.667  0.333  0.642  1.0
  La  La8  1  0.333  0.667  0.858  1.0
  La  La9  1  0.333  0.667  0.358  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  0.802  1.0
  Ti  Ti13  1  0.667  0.333  0.302  1.0
  Ti  Ti14  1  0.000  0.000  0.089  1.0
  Ti  Ti15  1  0.000  0.000  0.589  1.0
  Ti  Ti16  1  0.000  0.000  0.911  1.0
  Ti  Ti17  1  0.000  0.000  0.411  1.0
  O  O18  1  0.230  0.887  0.147  1.0
  O  O19  1  0.658  0.770  0.147  1.0
  O  O20  1  0.113  0.342  0.147  1.0
  O  O21  1  0.230  0.342  0.647  1.0
  O  O22  1  0.113  0.770  0.647  1.0
  O  O23  1  0.658  0.887  0.647  1.0
  O  O24  1  0.770  0.113  0.853  1.0
  O  O25  1  0.342  0.230  0.853  1.0
  O  O26  1  0.887  0.658  0.853  1.0
  O  O27  1  0.770  0.658  0.353  1.0
  O  O28  1  0.887  0.230  0.353  1.0
  O  O29  1  0.342  0.113  0.353  1.0
  O  O30  1  0.520  0.000  0.250  1.0
  O  O31  1  0.480  0.480  0.250  1.0
  O  O32  1  0.000  0.520  0.250  1.0
  O  O33  1  0.520  0.520  0.750  1.0
  O  O34  1  0.000  0.480  0.750  1.0
  O  O35  1  0.480  0.000  0.750  1.0
  O  O36  1  0.660  0.762  0.948  1.0
  O  O37  1  0.102  0.340  0.948  1.0
  O  O38  1  0.238  0.898  0.948  1.0
  O  O39  1  0.660  0.898  0.448  1.0
  O  O40  1  0.238  0.340  0.448  1.0
  O  O41  1  0.102  0.762  0.448  1.0
  O  O42  1  0.340  0.238  0.052  1.0
  O  O43  1  0.898  0.660  0.052  1.0
  O  O44  1  0.762  0.102  0.052  1.0
  O  O45  1  0.340  0.102  0.552  1.0
  O  O46  1  0.762  0.660  0.552  1.0
  O  O47  1  0.898  0.238  0.552  1.0
[/CIF]
.
The compound described by BaLa4Ti4O15 crystallizes in the trigonal P-3c1 space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, and faces with six equivalent Ti(1)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(3) atoms. In the second La site, La(2) is bonded in a 12-coordinate geometry to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the second Ti site, Ti(2) 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  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one Ti(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), two equivalent La(2), one Ti(1), and one Ti(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_BaLa4Ti4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.630
_cell_length_c   22.227
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   610.064
_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  0.000  0.000  0.250  1.0
  Ba  Ba1  1  0.000  0.000  0.750  1.0
  La  La2  1  0.333  0.667  0.039  1.0
  La  La3  1  0.333  0.667  0.539  1.0
  La  La4  1  0.667  0.333  0.961  1.0
  La  La5  1  0.667  0.333  0.461  1.0
  La  La6  1  0.667  0.333  0.142  1.0
  La  La7  1  0.667  0.333  0.642  1.0
  La  La8  1  0.333  0.667  0.858  1.0
  La  La9  1  0.333  0.667  0.358  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  0.802  1.0
  Ti  Ti13  1  0.667  0.333  0.302  1.0
  Ti  Ti14  1  0.000  0.000  0.089  1.0
  Ti  Ti15  1  0.000  0.000  0.589  1.0
  Ti  Ti16  1  0.000  0.000  0.911  1.0
  Ti  Ti17  1  0.000  0.000  0.411  1.0
  O  O18  1  0.230  0.887  0.147  1.0
  O  O19  1  0.658  0.770  0.147  1.0
  O  O20  1  0.113  0.342  0.147  1.0
  O  O21  1  0.230  0.342  0.647  1.0
  O  O22  1  0.113  0.770  0.647  1.0
  O  O23  1  0.658  0.887  0.647  1.0
  O  O24  1  0.770  0.113  0.853  1.0
  O  O25  1  0.342  0.230  0.853  1.0
  O  O26  1  0.887  0.658  0.853  1.0
  O  O27  1  0.770  0.658  0.353  1.0
  O  O28  1  0.887  0.230  0.353  1.0
  O  O29  1  0.342  0.113  0.353  1.0
  O  O30  1  0.520  0.000  0.250  1.0
  O  O31  1  0.480  0.480  0.250  1.0
  O  O32  1  0.000  0.520  0.250  1.0
  O  O33  1  0.520  0.520  0.750  1.0
  O  O34  1  0.000  0.480  0.750  1.0
  O  O35  1  0.480  0.000  0.750  1.0
  O  O36  1  0.660  0.762  0.948  1.0
  O  O37  1  0.102  0.340  0.948  1.0
  O  O38  1  0.238  0.898  0.948  1.0
  O  O39  1  0.660  0.898  0.448  1.0
  O  O40  1  0.238  0.340  0.448  1.0
  O  O41  1  0.102  0.762  0.448  1.0
  O  O42  1  0.340  0.238  0.052  1.0
  O  O43  1  0.898  0.660  0.052  1.0
  O  O44  1  0.762  0.102  0.052  1.0
  O  O45  1  0.340  0.102  0.552  1.0
  O  O46  1  0.762  0.660  0.552  1.0
  O  O47  1  0.898  0.238  0.552  1.0
[/CIF]
.