The compound described by Li3Sr3La5O12 crystallizes in the monoclinic Pm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(7), and two equivalent O(8) atoms to form corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(12), one O(9), and two equivalent O(11) atoms to form corner-sharing LiO4 tetrahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(11), two equivalent O(10), two equivalent O(7), and two equivalent O(9) atoms. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(3), two equivalent O(12), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to one O(5), one O(7), one O(9), two equivalent O(6), and two equivalent O(8) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(10), two equivalent O(12), and two equivalent O(9) atoms. In the fifth La site, La(5) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(2), two equivalent O(1), and two equivalent O(11) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one La(1), and two equivalent La(5) atoms to form distorted OSr2La3 trigonal bipyramids that share corners with two equivalent O(10)Sr2LiLa3 octahedra, corners with two equivalent O(3)Sr4LiLa octahedra, corners with four equivalent O(2)SrLa3 tetrahedra, corners with two equivalent O(4)Sr4La trigonal bipyramids,  an edgeedge with one O(4)Sr4La trigonal bipyramid, edges with two equivalent O(1)Sr2La3 trigonal bipyramids, and  a faceface with one O(3)Sr4LiLa octahedra. The corner-sharing octahedral tilt angles range from 62-67°. In the second O site, O(2) is bonded to one Sr(2), one La(5), and two equivalent La(1) atoms to form OSrLa3 tetrahedra that share  a cornercorner with one O(10)Sr2LiLa3 octahedra, corners with two equivalent O(2)SrLa3 tetrahedra, corners with two equivalent O(4)Sr4La trigonal bipyramids, corners with four equivalent O(1)Sr2La3 trigonal bipyramids, and edges with two equivalent O(3)Sr4LiLa octahedra. The corner-sharing octahedral tilt angles are 39°. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one La(1) atom to form distorted OSr4LiLa octahedra that share corners with two equivalent O(1)Sr2La3 trigonal bipyramids, corners with four equivalent O(4)Sr4La trigonal bipyramids, edges with two equivalent O(3)Sr4LiLa octahedra, edges with two equivalent O(2)SrLa3 tetrahedra, edges with two equivalent O(4)Sr4La trigonal bipyramids, and  a faceface with one O(1)Sr2La3 trigonal bipyramid. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one La(2) atom to form distorted OSr4La trigonal bipyramids that share corners with four equivalent O(3)Sr4LiLa octahedra, corners with two equivalent O(2)SrLa3 tetrahedra, corners with two equivalent O(1)Sr2La3 trigonal bipyramids, edges with two equivalent O(3)Sr4LiLa octahedra,  an edgeedge with one O(1)Sr2La3 trigonal bipyramid, and edges with two equivalent O(4)Sr4La trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-26°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Sr(1), one La(3), and two equivalent La(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(2), one La(2), and two equivalent La(3) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(3), one La(3), and two equivalent La(2) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Li(2), one La(2), one La(4), and two equivalent La(3) atoms. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Sr(3), one La(3), and two equivalent La(4) atoms to form a mixture of distorted corner and edge-sharing OSr2LiLa3 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Sr(3), one La(5), and two equivalent La(4) atoms to form distorted OSr2LiLa3 octahedra that share corners with four equivalent O(9)Sr2LiLa3 octahedra,  a cornercorner with one O(2)SrLa3 tetrahedra, corners with two equivalent O(1)Sr2La3 trigonal bipyramids, edges with two equivalent O(10)Sr2LiLa3 octahedra, and edges with two equivalent O(9)Sr2LiLa3 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Li(3), one Sr(3), one La(1), and two equivalent La(5) atoms. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(3), one La(5), two equivalent La(1), and two equivalent La(4) atoms. is represented by the CIF file [CIF]
data_Sr3Li3La5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.594
_cell_length_b   6.945
_cell_length_c   13.656
_cell_angle_alpha   89.810
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.859
_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  0.901  0.219  1.0
  Sr  Sr1  1  0.000  0.421  0.268  1.0
  Sr  Sr2  1  0.500  0.589  0.718  1.0
  Li  Li3  1  0.500  0.125  0.362  1.0
  Li  Li4  1  0.000  0.878  0.632  1.0
  Li  Li5  1  0.000  0.384  0.869  1.0
  La  La6  1  0.500  0.254  0.044  1.0
  La  La7  1  0.500  0.743  0.458  1.0
  La  La8  1  0.000  0.254  0.538  1.0
  La  La9  1  0.500  0.087  0.786  1.0
  La  La10  1  0.000  0.745  0.971  1.0
  O  O11  1  0.500  0.885  0.056  1.0
  O  O12  1  0.000  0.465  0.084  1.0
  O  O13  1  0.500  0.178  0.223  1.0
  O  O14  1  0.500  0.689  0.292  1.0
  O  O15  1  0.000  0.992  0.410  1.0
  O  O16  1  0.500  0.362  0.439  1.0
  O  O17  1  0.000  0.629  0.567  1.0
  O  O18  1  0.500  0.014  0.607  1.0
  O  O19  1  0.000  0.309  0.726  1.0
  O  O20  1  0.000  0.833  0.775  1.0
  O  O21  1  0.500  0.511  0.898  1.0
  O  O22  1  0.000  0.131  0.924  1.0
[/CIF]
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The compound described by Li3Sr3La5O12 crystallizes in the monoclinic Pm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(6), and two equivalent O(5) atoms to form corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(7), and two equivalent O(8) atoms to form corner-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(12), one O(9), and two equivalent O(11) atoms to form corner-sharing LiO4 tetrahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(11), two equivalent O(10), two equivalent O(7), and two equivalent O(9) atoms. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(3), two equivalent O(12), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to one O(5), one O(7), one O(9), two equivalent O(6), and two equivalent O(8) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(10), two equivalent O(12), and two equivalent O(9) atoms. In the fifth La site, La(5) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(2), two equivalent O(1), and two equivalent O(11) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one La(1), and two equivalent La(5) atoms to form distorted OSr2La3 trigonal bipyramids that share corners with two equivalent O(10)Sr2LiLa3 octahedra, corners with two equivalent O(3)Sr4LiLa octahedra, corners with four equivalent O(2)SrLa3 tetrahedra, corners with two equivalent O(4)Sr4La trigonal bipyramids,  an edgeedge with one O(4)Sr4La trigonal bipyramid, edges with two equivalent O(1)Sr2La3 trigonal bipyramids, and  a faceface with one O(3)Sr4LiLa octahedra. The corner-sharing octahedral tilt angles range from 62-67°. In the second O site, O(2) is bonded to one Sr(2), one La(5), and two equivalent La(1) atoms to form OSrLa3 tetrahedra that share  a cornercorner with one O(10)Sr2LiLa3 octahedra, corners with two equivalent O(2)SrLa3 tetrahedra, corners with two equivalent O(4)Sr4La trigonal bipyramids, corners with four equivalent O(1)Sr2La3 trigonal bipyramids, and edges with two equivalent O(3)Sr4LiLa octahedra. The corner-sharing octahedral tilt angles are 39°. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one La(1) atom to form distorted OSr4LiLa octahedra that share corners with two equivalent O(1)Sr2La3 trigonal bipyramids, corners with four equivalent O(4)Sr4La trigonal bipyramids, edges with two equivalent O(3)Sr4LiLa octahedra, edges with two equivalent O(2)SrLa3 tetrahedra, edges with two equivalent O(4)Sr4La trigonal bipyramids, and  a faceface with one O(1)Sr2La3 trigonal bipyramid. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one La(2) atom to form distorted OSr4La trigonal bipyramids that share corners with four equivalent O(3)Sr4LiLa octahedra, corners with two equivalent O(2)SrLa3 tetrahedra, corners with two equivalent O(1)Sr2La3 trigonal bipyramids, edges with two equivalent O(3)Sr4LiLa octahedra,  an edgeedge with one O(1)Sr2La3 trigonal bipyramid, and edges with two equivalent O(4)Sr4La trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-26°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Sr(1), one La(3), and two equivalent La(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(2), one La(2), and two equivalent La(3) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(3), one La(3), and two equivalent La(2) atoms. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Li(2), one La(2), one La(4), and two equivalent La(3) atoms. In the ninth O site, O(9) is bonded to one Li(3), two equivalent Sr(3), one La(3), and two equivalent La(4) atoms to form a mixture of distorted corner and edge-sharing OSr2LiLa3 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Sr(3), one La(5), and two equivalent La(4) atoms to form distorted OSr2LiLa3 octahedra that share corners with four equivalent O(9)Sr2LiLa3 octahedra,  a cornercorner with one O(2)SrLa3 tetrahedra, corners with two equivalent O(1)Sr2La3 trigonal bipyramids, edges with two equivalent O(10)Sr2LiLa3 octahedra, and edges with two equivalent O(9)Sr2LiLa3 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Li(3), one Sr(3), one La(1), and two equivalent La(5) atoms. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(3), one La(5), two equivalent La(1), and two equivalent La(4) atoms. is represented by the CIF file [CIF]
data_Sr3Li3La5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.594
_cell_length_b   6.945
_cell_length_c   13.656
_cell_angle_alpha   89.810
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.859
_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  0.901  0.219  1.0
  Sr  Sr1  1  0.000  0.421  0.268  1.0
  Sr  Sr2  1  0.500  0.589  0.718  1.0
  Li  Li3  1  0.500  0.125  0.362  1.0
  Li  Li4  1  0.000  0.878  0.632  1.0
  Li  Li5  1  0.000  0.384  0.869  1.0
  La  La6  1  0.500  0.254  0.044  1.0
  La  La7  1  0.500  0.743  0.458  1.0
  La  La8  1  0.000  0.254  0.538  1.0
  La  La9  1  0.500  0.087  0.786  1.0
  La  La10  1  0.000  0.745  0.971  1.0
  O  O11  1  0.500  0.885  0.056  1.0
  O  O12  1  0.000  0.465  0.084  1.0
  O  O13  1  0.500  0.178  0.223  1.0
  O  O14  1  0.500  0.689  0.292  1.0
  O  O15  1  0.000  0.992  0.410  1.0
  O  O16  1  0.500  0.362  0.439  1.0
  O  O17  1  0.000  0.629  0.567  1.0
  O  O18  1  0.500  0.014  0.607  1.0
  O  O19  1  0.000  0.309  0.726  1.0
  O  O20  1  0.000  0.833  0.775  1.0
  O  O21  1  0.500  0.511  0.898  1.0
  O  O22  1  0.000  0.131  0.924  1.0
[/CIF]
.