The material structure described by LiSrLaTi3O9 crystallizes in the trigonal P3m1 space group. The structure consists of one 7439-93-2 atom inside a SrLaTi3O9 framework. In the SrLaTi3O9 framework, Sr(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent La(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(3)O6 octahedra. La(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ti(3)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, 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(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Ti site, Ti(2) 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(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Ti site, Ti(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), two equivalent La(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one La(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), one La(1), one Ti(1), and one Ti(3) atom. is represented by the CIF card [CIF]
data_SrLiLaTi3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.530
_cell_length_b   5.530
_cell_length_c   6.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.771
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.000  0.000  0.330  1.0
  Li  Li1  1  0.333  0.667  0.999  1.0
  La  La2  1  0.667  0.333  0.671  1.0
  Ti  Ti3  1  0.333  0.667  0.497  1.0
  Ti  Ti4  1  0.000  0.000  0.840  1.0
  Ti  Ti5  1  0.667  0.333  0.163  1.0
  O  O6  1  0.165  0.835  0.664  1.0
  O  O7  1  0.831  0.169  0.995  1.0
  O  O8  1  0.504  0.496  0.342  1.0
  O  O9  1  0.992  0.496  0.342  1.0
  O  O10  1  0.670  0.835  0.664  1.0
  O  O11  1  0.339  0.169  0.995  1.0
  O  O12  1  0.165  0.330  0.664  1.0
  O  O13  1  0.831  0.661  0.995  1.0
  O  O14  1  0.504  0.008  0.342  1.0
[/CIF]
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The material structure described by LiSrLaTi3O9 crystallizes in the trigonal P3m1 space group. The structure consists of one 7439-93-2 atom inside a SrLaTi3O9 framework. In the SrLaTi3O9 framework, Sr(1) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with three equivalent La(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent La(1)O12 cuboctahedra, faces with two equivalent Ti(2)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(3)O6 octahedra. La(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with six equivalent La(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ti(3)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. There are three inequivalent Ti sites. In the first Ti site, 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(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Ti site, Ti(2) 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(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Ti site, Ti(3) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), two equivalent La(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one La(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), one La(1), one Ti(1), and one Ti(3) atom. is represented by the CIF card [CIF]
data_SrLiLaTi3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.530
_cell_length_b   5.530
_cell_length_c   6.788
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   179.771
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.000  0.000  0.330  1.0
  Li  Li1  1  0.333  0.667  0.999  1.0
  La  La2  1  0.667  0.333  0.671  1.0
  Ti  Ti3  1  0.333  0.667  0.497  1.0
  Ti  Ti4  1  0.000  0.000  0.840  1.0
  Ti  Ti5  1  0.667  0.333  0.163  1.0
  O  O6  1  0.165  0.835  0.664  1.0
  O  O7  1  0.831  0.169  0.995  1.0
  O  O8  1  0.504  0.496  0.342  1.0
  O  O9  1  0.992  0.496  0.342  1.0
  O  O10  1  0.670  0.835  0.664  1.0
  O  O11  1  0.339  0.169  0.995  1.0
  O  O12  1  0.165  0.330  0.664  1.0
  O  O13  1  0.831  0.661  0.995  1.0
  O  O14  1  0.504  0.008  0.342  1.0
[/CIF]
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