The material described by Li6Sr3Ta2O11 crystallizes in the orthorhombic Pmma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Ta(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Ta(1)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Ta(1)O5 trigonal bipyramids,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Ta(1)O5 trigonal bipyramid, edges with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(4) atoms to form TaO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. In the second Ta site, Ta(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with four equivalent Li(3)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Sr(1), two equivalent Sr(2), and one Ta(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ta(1) atom. In the third O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(2), two equivalent Sr(2), and one Ta(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(3), one Sr(1), two equivalent Sr(2), and one Ta(2) atom. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Sr(1), one Sr(2), and one Ta(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr2Li3Ta octahedra. The corner-sharing octahedral tilt angles range from 0-70°. is represented by the CIF card [CIF]
data_Sr3Li6Ta2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   8.433
_cell_length_c   10.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.443
_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
  Sr  Sr0  1  0.617  0.000  0.750  1.0
  Sr  Sr1  1  0.383  0.000  0.250  1.0
  Sr  Sr2  1  0.500  0.263  0.500  1.0
  Sr  Sr3  1  0.500  0.737  0.500  1.0
  Sr  Sr4  1  0.500  0.737  0.000  1.0
  Sr  Sr5  1  0.500  0.263  0.000  1.0
  Li  Li6  1  0.781  0.317  0.750  1.0
  Li  Li7  1  0.219  0.683  0.250  1.0
  Li  Li8  1  0.781  0.683  0.750  1.0
  Li  Li9  1  0.219  0.317  0.250  1.0
  Li  Li10  1  0.000  0.355  0.500  1.0
  Li  Li11  1  0.000  0.645  0.500  1.0
  Li  Li12  1  0.000  0.645  0.000  1.0
  Li  Li13  1  0.000  0.355  0.000  1.0
  Li  Li14  1  0.148  0.146  0.750  1.0
  Li  Li15  1  0.852  0.854  0.250  1.0
  Li  Li16  1  0.148  0.854  0.750  1.0
  Li  Li17  1  0.852  0.146  0.250  1.0
  Ta  Ta18  1  0.265  0.500  0.750  1.0
  Ta  Ta19  1  0.735  0.500  0.250  1.0
  Ta  Ta20  1  0.000  0.000  0.500  1.0
  Ta  Ta21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.254  0.500  0.561  1.0
  O  O23  1  0.746  0.500  0.439  1.0
  O  O24  1  0.254  0.500  0.939  1.0
  O  O25  1  0.746  0.500  0.061  1.0
  O  O26  1  0.281  0.000  0.607  1.0
  O  O27  1  0.719  0.000  0.393  1.0
  O  O28  1  0.281  0.000  0.893  1.0
  O  O29  1  0.719  0.000  0.107  1.0
  O  O30  1  0.133  0.173  0.110  1.0
  O  O31  1  0.867  0.827  0.890  1.0
  O  O32  1  0.133  0.827  0.390  1.0
  O  O33  1  0.867  0.173  0.890  1.0
  O  O34  1  0.867  0.173  0.610  1.0
  O  O35  1  0.133  0.827  0.110  1.0
  O  O36  1  0.867  0.827  0.610  1.0
  O  O37  1  0.133  0.173  0.390  1.0
  O  O38  1  0.432  0.302  0.750  1.0
  O  O39  1  0.568  0.698  0.250  1.0
  O  O40  1  0.432  0.698  0.750  1.0
  O  O41  1  0.568  0.302  0.250  1.0
  O  O42  1  0.946  0.500  0.750  1.0
  O  O43  1  0.054  0.500  0.250  1.0
[/CIF]
.
The material described by Li6Sr3Ta2O11 crystallizes in the orthorhombic Pmma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Ta(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, corners with two equivalent Ta(1)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Ta(1)O5 trigonal bipyramids,  an edgeedge with one Ta(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Ta(1)O5 trigonal bipyramid, edges with two equivalent Ta(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(4) atoms to form TaO5 trigonal bipyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. In the second Ta site, Ta(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TaO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with four equivalent Li(3)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Sr(1), two equivalent Sr(2), and one Ta(1) atom. In the second O site, O(5) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ta(1) atom. In the third O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(2), two equivalent Sr(2), and one Ta(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(3), one Sr(1), two equivalent Sr(2), and one Ta(2) atom. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Sr(1), one Sr(2), and one Ta(2) atom to form a mixture of distorted corner, edge, and face-sharing OSr2Li3Ta octahedra. The corner-sharing octahedral tilt angles range from 0-70°. is represented by the CIF card [CIF]
data_Sr3Li6Ta2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.879
_cell_length_b   8.433
_cell_length_c   10.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.443
_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
  Sr  Sr0  1  0.617  0.000  0.750  1.0
  Sr  Sr1  1  0.383  0.000  0.250  1.0
  Sr  Sr2  1  0.500  0.263  0.500  1.0
  Sr  Sr3  1  0.500  0.737  0.500  1.0
  Sr  Sr4  1  0.500  0.737  0.000  1.0
  Sr  Sr5  1  0.500  0.263  0.000  1.0
  Li  Li6  1  0.781  0.317  0.750  1.0
  Li  Li7  1  0.219  0.683  0.250  1.0
  Li  Li8  1  0.781  0.683  0.750  1.0
  Li  Li9  1  0.219  0.317  0.250  1.0
  Li  Li10  1  0.000  0.355  0.500  1.0
  Li  Li11  1  0.000  0.645  0.500  1.0
  Li  Li12  1  0.000  0.645  0.000  1.0
  Li  Li13  1  0.000  0.355  0.000  1.0
  Li  Li14  1  0.148  0.146  0.750  1.0
  Li  Li15  1  0.852  0.854  0.250  1.0
  Li  Li16  1  0.148  0.854  0.750  1.0
  Li  Li17  1  0.852  0.146  0.250  1.0
  Ta  Ta18  1  0.265  0.500  0.750  1.0
  Ta  Ta19  1  0.735  0.500  0.250  1.0
  Ta  Ta20  1  0.000  0.000  0.500  1.0
  Ta  Ta21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.254  0.500  0.561  1.0
  O  O23  1  0.746  0.500  0.439  1.0
  O  O24  1  0.254  0.500  0.939  1.0
  O  O25  1  0.746  0.500  0.061  1.0
  O  O26  1  0.281  0.000  0.607  1.0
  O  O27  1  0.719  0.000  0.393  1.0
  O  O28  1  0.281  0.000  0.893  1.0
  O  O29  1  0.719  0.000  0.107  1.0
  O  O30  1  0.133  0.173  0.110  1.0
  O  O31  1  0.867  0.827  0.890  1.0
  O  O32  1  0.133  0.827  0.390  1.0
  O  O33  1  0.867  0.173  0.890  1.0
  O  O34  1  0.867  0.173  0.610  1.0
  O  O35  1  0.133  0.827  0.110  1.0
  O  O36  1  0.867  0.827  0.610  1.0
  O  O37  1  0.133  0.173  0.390  1.0
  O  O38  1  0.432  0.302  0.750  1.0
  O  O39  1  0.568  0.698  0.250  1.0
  O  O40  1  0.432  0.698  0.750  1.0
  O  O41  1  0.568  0.302  0.250  1.0
  O  O42  1  0.946  0.500  0.750  1.0
  O  O43  1  0.054  0.500  0.250  1.0
[/CIF]
.