The compound described by LiSr2Ti6N2O11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(11) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent O(1), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, corners with two equivalent Ti(1)NO4 trigonal bipyramids, and edges with two equivalent Ti(4)N3O3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Ti(6)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 20°. In the fourth Ti site, Ti(4) is bonded to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(4)N3O3 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(4)N3O3 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(6), and two equivalent O(8) atoms to form distorted TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(4)N3O3 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, corners with two equivalent Ti(6)NO4 trigonal bipyramids, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-71°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi4 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a square co-planar geometry to one Li(1), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a square co-planar geometry to two equivalent Li(1), one Ti(1), and one Ti(6) atom. is represented by the CIF card [CIF]
data_Sr2LiTi6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   7.798
_cell_length_c   9.800
_cell_angle_alpha   76.997
_cell_angle_beta   89.999
_cell_angle_gamma   75.561
_symmetry_Int_Tables_number   1
_cell_volume   279.633
_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  0.569  0.878  0.714  1.0
  Sr  Sr1  1  0.441  0.136  0.279  1.0
  Li  Li2  1  0.505  0.007  0.996  1.0
  Ti  Ti3  1  0.139  0.737  0.050  1.0
  Ti  Ti4  1  0.168  0.681  0.407  1.0
  Ti  Ti5  1  0.252  0.512  0.744  1.0
  Ti  Ti6  1  0.757  0.504  0.227  1.0
  Ti  Ti7  1  0.846  0.324  0.565  1.0
  Ti  Ti8  1  0.876  0.265  0.944  1.0
  N  N9  1  0.229  0.559  0.237  1.0
  N  N10  1  0.841  0.335  0.108  1.0
  O  O11  1  0.054  0.910  0.317  1.0
  O  O12  1  0.143  0.729  0.605  1.0
  O  O13  1  0.170  0.675  0.878  1.0
  O  O14  1  0.634  0.748  0.073  1.0
  O  O15  1  0.700  0.617  0.423  1.0
  O  O16  1  0.775  0.466  0.754  1.0
  O  O17  1  0.314  0.388  0.576  1.0
  O  O18  1  0.375  0.267  0.897  1.0
  O  O19  1  0.872  0.275  0.390  1.0
  O  O20  1  0.957  0.102  0.674  1.0
  O  O21  1  0.006  0.005  0.998  1.0
[/CIF]
.
The compound described by LiSr2Ti6N2O11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(11) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent O(1), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid, corners with two equivalent Ti(1)NO4 trigonal bipyramids, and edges with two equivalent Ti(4)N3O3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(7), one O(8), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Ti(6)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 20°. In the fourth Ti site, Ti(4) is bonded to one N(2), two equivalent N(1), one O(4), one O(5), and one O(9) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(4)N3O3 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(5)O6 octahedra, and edges with two equivalent Ti(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 26°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(5), one O(6), one O(9), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra,  a cornercorner with one Ti(6)NO4 trigonal bipyramid,  an edgeedge with one Ti(4)N3O3 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(11), one O(6), and two equivalent O(8) atoms to form distorted TiNO4 trigonal bipyramids that share  a cornercorner with one Ti(4)N3O3 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(1)NO4 trigonal bipyramid, corners with two equivalent Ti(6)NO4 trigonal bipyramids, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-71°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the second N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(6) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sr(2) and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(4), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi4 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a square co-planar geometry to one Li(1), one Ti(3), and two equivalent Ti(6) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(2), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a square co-planar geometry to two equivalent Li(1), one Ti(1), and one Ti(6) atom. is represented by the CIF card [CIF]
data_Sr2LiTi6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.884
_cell_length_b   7.798
_cell_length_c   9.800
_cell_angle_alpha   76.997
_cell_angle_beta   89.999
_cell_angle_gamma   75.561
_symmetry_Int_Tables_number   1
_cell_volume   279.633
_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  0.569  0.878  0.714  1.0
  Sr  Sr1  1  0.441  0.136  0.279  1.0
  Li  Li2  1  0.505  0.007  0.996  1.0
  Ti  Ti3  1  0.139  0.737  0.050  1.0
  Ti  Ti4  1  0.168  0.681  0.407  1.0
  Ti  Ti5  1  0.252  0.512  0.744  1.0
  Ti  Ti6  1  0.757  0.504  0.227  1.0
  Ti  Ti7  1  0.846  0.324  0.565  1.0
  Ti  Ti8  1  0.876  0.265  0.944  1.0
  N  N9  1  0.229  0.559  0.237  1.0
  N  N10  1  0.841  0.335  0.108  1.0
  O  O11  1  0.054  0.910  0.317  1.0
  O  O12  1  0.143  0.729  0.605  1.0
  O  O13  1  0.170  0.675  0.878  1.0
  O  O14  1  0.634  0.748  0.073  1.0
  O  O15  1  0.700  0.617  0.423  1.0
  O  O16  1  0.775  0.466  0.754  1.0
  O  O17  1  0.314  0.388  0.576  1.0
  O  O18  1  0.375  0.267  0.897  1.0
  O  O19  1  0.872  0.275  0.390  1.0
  O  O20  1  0.957  0.102  0.674  1.0
  O  O21  1  0.006  0.005  0.998  1.0
[/CIF]
.