The material described by LiSr2LaTi4O12 crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-93-2 atoms inside a Sr2LaTi4O12 framework. In the Sr2LaTi4O12 framework, Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. La(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Sr2LiLaTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.772
_cell_length_b   8.772
_cell_length_c   8.772
_cell_angle_alpha   143.120
_cell_angle_beta   143.120
_cell_angle_gamma   53.145
_symmetry_Int_Tables_number   1
_cell_volume   241.601
_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  0.248  0.248  0.000  1.0
  Sr  Sr1  1  0.752  0.752  0.000  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  La  La3  1  0.500  0.500  0.000  1.0
  Ti  Ti4  1  0.876  0.376  0.500  1.0
  Ti  Ti5  1  0.124  0.624  0.500  1.0
  Ti  Ti6  1  0.376  0.876  0.500  1.0
  Ti  Ti7  1  0.624  0.124  0.500  1.0
  O  O8  1  0.620  0.133  0.000  1.0
  O  O9  1  0.867  0.380  0.000  1.0
  O  O10  1  0.133  0.620  0.000  1.0
  O  O11  1  0.380  0.867  0.000  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.250  0.750  0.500  1.0
  O  O15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.620  0.620  0.487  1.0
  O  O17  1  0.867  0.867  0.487  1.0
  O  O18  1  0.133  0.133  0.513  1.0
  O  O19  1  0.380  0.380  0.513  1.0
[/CIF]
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The material described by LiSr2LaTi4O12 crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-93-2 atoms inside a Sr2LaTi4O12 framework. In the Sr2LaTi4O12 framework, Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. La(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent La(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Sr2LiLaTi4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.772
_cell_length_b   8.772
_cell_length_c   8.772
_cell_angle_alpha   143.120
_cell_angle_beta   143.120
_cell_angle_gamma   53.145
_symmetry_Int_Tables_number   1
_cell_volume   241.601
_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  0.248  0.248  0.000  1.0
  Sr  Sr1  1  0.752  0.752  0.000  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  La  La3  1  0.500  0.500  0.000  1.0
  Ti  Ti4  1  0.876  0.376  0.500  1.0
  Ti  Ti5  1  0.124  0.624  0.500  1.0
  Ti  Ti6  1  0.376  0.876  0.500  1.0
  Ti  Ti7  1  0.624  0.124  0.500  1.0
  O  O8  1  0.620  0.133  0.000  1.0
  O  O9  1  0.867  0.380  0.000  1.0
  O  O10  1  0.133  0.620  0.000  1.0
  O  O11  1  0.380  0.867  0.000  1.0
  O  O12  1  0.750  0.250  0.500  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.250  0.750  0.500  1.0
  O  O15  1  0.500  0.000  0.500  1.0
  O  O16  1  0.620  0.620  0.487  1.0
  O  O17  1  0.867  0.867  0.487  1.0
  O  O18  1  0.133  0.133  0.513  1.0
  O  O19  1  0.380  0.380  0.513  1.0
[/CIF]
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