The material structure described by NaLaTiO4 crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. La(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Ti(1) atom. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form a mixture of distorted edge and corner-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaLaTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   3.788
_cell_length_c   13.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.580
_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  0.500  0.000  0.583  1.0
  Na  Na1  1  0.000  0.500  0.417  1.0
  La  La2  1  0.000  0.500  0.109  1.0
  La  La3  1  0.500  0.000  0.891  1.0
  Ti  Ti4  1  0.500  0.000  0.275  1.0
  Ti  Ti5  1  0.000  0.500  0.725  1.0
  O  O6  1  0.000  0.500  0.931  1.0
  O  O7  1  0.500  0.000  0.069  1.0
  O  O8  1  0.000  0.500  0.592  1.0
  O  O9  1  0.500  0.000  0.408  1.0
  O  O10  1  0.000  0.000  0.239  1.0
  O  O11  1  0.500  0.500  0.239  1.0
  O  O12  1  0.000  0.000  0.761  1.0
  O  O13  1  0.500  0.500  0.761  1.0
[/CIF]
.
The material structure described by NaLaTiO4 crystallizes in the tetragonal P4/nmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. La(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to five equivalent La(1) and one Ti(1) atom. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form a mixture of distorted edge and corner-sharing ONa5Ti octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaLaTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.788
_cell_length_b   3.788
_cell_length_c   13.210
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.580
_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  0.500  0.000  0.583  1.0
  Na  Na1  1  0.000  0.500  0.417  1.0
  La  La2  1  0.000  0.500  0.109  1.0
  La  La3  1  0.500  0.000  0.891  1.0
  Ti  Ti4  1  0.500  0.000  0.275  1.0
  Ti  Ti5  1  0.000  0.500  0.725  1.0
  O  O6  1  0.000  0.500  0.931  1.0
  O  O7  1  0.500  0.000  0.069  1.0
  O  O8  1  0.000  0.500  0.592  1.0
  O  O9  1  0.500  0.000  0.408  1.0
  O  O10  1  0.000  0.000  0.239  1.0
  O  O11  1  0.500  0.500  0.239  1.0
  O  O12  1  0.000  0.000  0.761  1.0
  O  O13  1  0.500  0.500  0.761  1.0
[/CIF]
.