The material structure described by LiLaTiO4 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded to four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal 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 in a 5-coordinate geometry to four equivalent Li(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLaTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.776
_cell_length_b   3.776
_cell_length_c   12.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.012
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  La  La2  1  0.000  0.500  0.117  1.0
  La  La3  1  0.500  0.000  0.883  1.0
  Ti  Ti4  1  0.000  0.500  0.706  1.0
  Ti  Ti5  1  0.500  0.000  0.294  1.0
  O  O6  1  0.000  0.500  0.925  1.0
  O  O7  1  0.500  0.000  0.075  1.0
  O  O8  1  0.000  0.500  0.561  1.0
  O  O9  1  0.500  0.000  0.439  1.0
  O  O10  1  0.000  0.000  0.745  1.0
  O  O11  1  0.500  0.500  0.745  1.0
  O  O12  1  0.500  0.500  0.255  1.0
  O  O13  1  0.000  0.000  0.255  1.0
[/CIF]
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The material structure described by LiLaTiO4 crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded to four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal 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 in a 5-coordinate geometry to four equivalent Li(1) and one Ti(1) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OLa2Ti2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLaTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.776
_cell_length_b   3.776
_cell_length_c   12.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.012
_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
  Li  Li0  1  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  La  La2  1  0.000  0.500  0.117  1.0
  La  La3  1  0.500  0.000  0.883  1.0
  Ti  Ti4  1  0.000  0.500  0.706  1.0
  Ti  Ti5  1  0.500  0.000  0.294  1.0
  O  O6  1  0.000  0.500  0.925  1.0
  O  O7  1  0.500  0.000  0.075  1.0
  O  O8  1  0.000  0.500  0.561  1.0
  O  O9  1  0.500  0.000  0.439  1.0
  O  O10  1  0.000  0.000  0.745  1.0
  O  O11  1  0.500  0.500  0.745  1.0
  O  O12  1  0.500  0.500  0.255  1.0
  O  O13  1  0.000  0.000  0.255  1.0
[/CIF]
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