The material structure described by La2Ti3O9 crystallizes in the cubic I23 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_La2Ti3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.938
_cell_length_b   7.938
_cell_length_c   7.938
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   385.045
_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
  La  La0  1  0.597  0.000  0.000  1.0
  La  La1  1  0.403  0.403  0.403  1.0
  La  La2  1  0.000  0.597  0.000  1.0
  La  La3  1  0.000  0.000  0.597  1.0
  Ti  Ti4  1  0.845  0.500  0.345  1.0
  Ti  Ti5  1  0.655  0.155  0.500  1.0
  Ti  Ti6  1  0.500  0.655  0.155  1.0
  Ti  Ti7  1  0.500  0.345  0.845  1.0
  Ti  Ti8  1  0.345  0.845  0.500  1.0
  Ti  Ti9  1  0.155  0.500  0.655  1.0
  O  O10  1  0.740  0.348  0.034  1.0
  O  O11  1  0.608  0.260  0.295  1.0
  O  O12  1  0.359  0.000  0.359  1.0
  O  O13  1  0.641  0.000  0.641  1.0
  O  O14  1  0.359  0.359  0.000  1.0
  O  O15  1  0.641  0.641  0.000  1.0
  O  O16  1  0.966  0.314  0.705  1.0
  O  O17  1  0.686  0.652  0.392  1.0
  O  O18  1  0.652  0.392  0.686  1.0
  O  O19  1  0.348  0.034  0.740  1.0
  O  O20  1  0.295  0.608  0.260  1.0
  O  O21  1  0.705  0.966  0.314  1.0
  O  O22  1  0.260  0.295  0.608  1.0
  O  O23  1  0.000  0.359  0.359  1.0
  O  O24  1  0.392  0.686  0.652  1.0
  O  O25  1  0.034  0.740  0.348  1.0
  O  O26  1  0.000  0.641  0.641  1.0
  O  O27  1  0.314  0.705  0.966  1.0
[/CIF]
.
The material structure described by La2Ti3O9 crystallizes in the cubic I23 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_La2Ti3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.938
_cell_length_b   7.938
_cell_length_c   7.938
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   385.045
_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
  La  La0  1  0.597  0.000  0.000  1.0
  La  La1  1  0.403  0.403  0.403  1.0
  La  La2  1  0.000  0.597  0.000  1.0
  La  La3  1  0.000  0.000  0.597  1.0
  Ti  Ti4  1  0.845  0.500  0.345  1.0
  Ti  Ti5  1  0.655  0.155  0.500  1.0
  Ti  Ti6  1  0.500  0.655  0.155  1.0
  Ti  Ti7  1  0.500  0.345  0.845  1.0
  Ti  Ti8  1  0.345  0.845  0.500  1.0
  Ti  Ti9  1  0.155  0.500  0.655  1.0
  O  O10  1  0.740  0.348  0.034  1.0
  O  O11  1  0.608  0.260  0.295  1.0
  O  O12  1  0.359  0.000  0.359  1.0
  O  O13  1  0.641  0.000  0.641  1.0
  O  O14  1  0.359  0.359  0.000  1.0
  O  O15  1  0.641  0.641  0.000  1.0
  O  O16  1  0.966  0.314  0.705  1.0
  O  O17  1  0.686  0.652  0.392  1.0
  O  O18  1  0.652  0.392  0.686  1.0
  O  O19  1  0.348  0.034  0.740  1.0
  O  O20  1  0.295  0.608  0.260  1.0
  O  O21  1  0.705  0.966  0.314  1.0
  O  O22  1  0.260  0.295  0.608  1.0
  O  O23  1  0.000  0.359  0.359  1.0
  O  O24  1  0.392  0.686  0.652  1.0
  O  O25  1  0.034  0.740  0.348  1.0
  O  O26  1  0.000  0.641  0.641  1.0
  O  O27  1  0.314  0.705  0.966  1.0
[/CIF]
.