The material described by LiSr2Ti6N2O11 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one N(2), one O(4), one O(6), and two equivalent O(3) atoms to form LiNO4 trigonal bipyramids that share  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(1)NO4 trigonal bipyramids,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(1)NO5 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(2) 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(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)NO5 octahedra,  an edgeedge with one Ti(2)NO5 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with two equivalent Li(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-6°. In the second Ti site, Ti(2) is bonded to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms to form distorted TiNO5 octahedra that share corners with two equivalent Ti(2)NO5 octahedra,  an edgeedge with one Ti(1)NO5 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with two equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. 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  a cornercorner with one Ti(1)NO5 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)NO5 octahedra, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Li(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-23°. 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,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(1)NO5 octahedra, edges with two equivalent Ti(2)NO5 octahedra, and  an edgeedge with one Li(1)NO4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 28°. 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 Li(1)NO4 trigonal bipyramid,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(2)NO5 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 in a 6-coordinate geometry to one N(2), one O(10), one O(11), one O(6), and two equivalent O(8) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NTi4 trigonal pyramids that share  a cornercorner with one O(7)Ti4 trigonal pyramid, corners with two equivalent N(1)Ti4 trigonal pyramids,  an edgeedge with one O(1)Sr2Ti2 trigonal pyramid, and edges with two equivalent O(5)Ti4 trigonal pyramids. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Li(1), 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 to two equivalent Sr(2), one Ti(1), and one Ti(2) atom to form distorted OSr2Ti2 trigonal pyramids that share  a cornercorner with one O(7)Ti4 trigonal pyramid, corners with two equivalent O(1)Sr2Ti2 trigonal pyramids, corners with two equivalent O(5)Ti4 trigonal pyramids, and  an edgeedge with one N(1)Ti4 trigonal pyramid. In the second O site, O(2) is bonded in a distorted water-like 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 rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted 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 OTi4 trigonal pyramids that share  a cornercorner with one O(6)LiTi4 trigonal bipyramid,  a cornercorner with one O(10)Sr2Ti2 trigonal pyramid, corners with two equivalent O(1)Sr2Ti2 trigonal pyramids, corners with two equivalent O(5)Ti4 trigonal pyramids, edges with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent O(7)Ti4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form distorted OLiTi4 trigonal bipyramids that share corners with two equivalent O(6)LiTi4 trigonal bipyramids,  a cornercorner with one O(5)Ti4 trigonal pyramid,  an edgeedge with one O(10)Sr2Ti2 trigonal pyramid, and edges with two equivalent O(7)Ti4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one N(1)Ti4 trigonal pyramid,  a cornercorner with one O(1)Sr2Ti2 trigonal pyramid, corners with two equivalent O(10)Sr2Ti2 trigonal pyramids, corners with two equivalent O(7)Ti4 trigonal pyramids, edges with two equivalent O(6)LiTi4 trigonal bipyramids, and edges with two equivalent O(5)Ti4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(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 to two equivalent Sr(1), one Ti(5), and one Ti(6) atom to form distorted OSr2Ti2 trigonal pyramids that share  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(10)Sr2Ti2 trigonal pyramids, corners with two equivalent O(7)Ti4 trigonal pyramids, and  an edgeedge with one O(6)LiTi4 trigonal bipyramid. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Sr(1), one Ti(1), and one Ti(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiTi6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.887
_cell_length_b   7.798
_cell_length_c   9.388
_cell_angle_alpha   82.584
_cell_angle_beta   89.992
_cell_angle_gamma   75.550
_symmetry_Int_Tables_number   1
_cell_volume   273.123
_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  0.530  0.938  0.767  1.0
  Sr  Sr1  1  0.445  0.106  0.230  1.0
  Li  Li2  1  0.712  0.573  0.958  1.0
  Ti  Ti3  1  0.124  0.748  0.102  1.0
  Ti  Ti4  1  0.162  0.672  0.424  1.0
  Ti  Ti5  1  0.234  0.529  0.752  1.0
  Ti  Ti6  1  0.760  0.477  0.239  1.0
  Ti  Ti7  1  0.831  0.334  0.562  1.0
  Ti  Ti8  1  0.882  0.233  0.919  1.0
  N  N9  1  0.231  0.535  0.255  1.0
  N  N10  1  0.831  0.334  0.089  1.0
  O  O11  1  0.059  0.878  0.296  1.0
  O  O12  1  0.127  0.741  0.628  1.0
  O  O13  1  0.174  0.648  0.921  1.0
  O  O14  1  0.630  0.736  0.107  1.0
  O  O15  1  0.692  0.613  0.442  1.0
  O  O16  1  0.759  0.478  0.766  1.0
  O  O17  1  0.298  0.400  0.569  1.0
  O  O18  1  0.371  0.255  0.872  1.0
  O  O19  1  0.870  0.257  0.384  1.0
  O  O20  1  0.933  0.131  0.685  1.0
  O  O21  1  0.002  0.992  0.989  1.0
[/CIF]
.
The material described by LiSr2Ti6N2O11 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one N(2), one O(4), one O(6), and two equivalent O(3) atoms to form LiNO4 trigonal bipyramids that share  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Li(1)NO4 trigonal bipyramids,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(1)NO5 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(10), two equivalent O(11), and two equivalent O(2) 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(1), one O(11), one O(3), and two equivalent O(4) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)NO5 octahedra,  an edgeedge with one Ti(2)NO5 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with two equivalent Li(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-6°. In the second Ti site, Ti(2) is bonded to one N(1), one O(1), one O(2), one O(7), and two equivalent O(5) atoms to form distorted TiNO5 octahedra that share corners with two equivalent Ti(2)NO5 octahedra,  an edgeedge with one Ti(1)NO5 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and edges with two equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles are 26°. 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  a cornercorner with one Ti(1)NO5 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)NO5 octahedra, edges with two equivalent Ti(5)O6 octahedra, and edges with two equivalent Li(1)NO4 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-23°. 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,  an edgeedge with one Ti(5)O6 octahedra, edges with two equivalent Ti(1)NO5 octahedra, edges with two equivalent Ti(2)NO5 octahedra, and  an edgeedge with one Li(1)NO4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 28°. 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 Li(1)NO4 trigonal bipyramid,  an edgeedge with one Ti(4)N3O3 octahedra, edges with two equivalent Ti(2)NO5 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 in a 6-coordinate geometry to one N(2), one O(10), one O(11), one O(6), and two equivalent O(8) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NTi4 trigonal pyramids that share  a cornercorner with one O(7)Ti4 trigonal pyramid, corners with two equivalent N(1)Ti4 trigonal pyramids,  an edgeedge with one O(1)Sr2Ti2 trigonal pyramid, and edges with two equivalent O(5)Ti4 trigonal pyramids. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Li(1), 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 to two equivalent Sr(2), one Ti(1), and one Ti(2) atom to form distorted OSr2Ti2 trigonal pyramids that share  a cornercorner with one O(7)Ti4 trigonal pyramid, corners with two equivalent O(1)Sr2Ti2 trigonal pyramids, corners with two equivalent O(5)Ti4 trigonal pyramids, and  an edgeedge with one N(1)Ti4 trigonal pyramid. In the second O site, O(2) is bonded in a distorted water-like 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 rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted 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 OTi4 trigonal pyramids that share  a cornercorner with one O(6)LiTi4 trigonal bipyramid,  a cornercorner with one O(10)Sr2Ti2 trigonal pyramid, corners with two equivalent O(1)Sr2Ti2 trigonal pyramids, corners with two equivalent O(5)Ti4 trigonal pyramids, edges with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent O(7)Ti4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms to form distorted OLiTi4 trigonal bipyramids that share corners with two equivalent O(6)LiTi4 trigonal bipyramids,  a cornercorner with one O(5)Ti4 trigonal pyramid,  an edgeedge with one O(10)Sr2Ti2 trigonal pyramid, and edges with two equivalent O(7)Ti4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one N(1)Ti4 trigonal pyramid,  a cornercorner with one O(1)Sr2Ti2 trigonal pyramid, corners with two equivalent O(10)Sr2Ti2 trigonal pyramids, corners with two equivalent O(7)Ti4 trigonal pyramids, edges with two equivalent O(6)LiTi4 trigonal bipyramids, and edges with two equivalent O(5)Ti4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(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 to two equivalent Sr(1), one Ti(5), and one Ti(6) atom to form distorted OSr2Ti2 trigonal pyramids that share  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(10)Sr2Ti2 trigonal pyramids, corners with two equivalent O(7)Ti4 trigonal pyramids, and  an edgeedge with one O(6)LiTi4 trigonal bipyramid. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Sr(1), one Ti(1), and one Ti(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiTi6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.887
_cell_length_b   7.798
_cell_length_c   9.388
_cell_angle_alpha   82.584
_cell_angle_beta   89.992
_cell_angle_gamma   75.550
_symmetry_Int_Tables_number   1
_cell_volume   273.123
_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  0.530  0.938  0.767  1.0
  Sr  Sr1  1  0.445  0.106  0.230  1.0
  Li  Li2  1  0.712  0.573  0.958  1.0
  Ti  Ti3  1  0.124  0.748  0.102  1.0
  Ti  Ti4  1  0.162  0.672  0.424  1.0
  Ti  Ti5  1  0.234  0.529  0.752  1.0
  Ti  Ti6  1  0.760  0.477  0.239  1.0
  Ti  Ti7  1  0.831  0.334  0.562  1.0
  Ti  Ti8  1  0.882  0.233  0.919  1.0
  N  N9  1  0.231  0.535  0.255  1.0
  N  N10  1  0.831  0.334  0.089  1.0
  O  O11  1  0.059  0.878  0.296  1.0
  O  O12  1  0.127  0.741  0.628  1.0
  O  O13  1  0.174  0.648  0.921  1.0
  O  O14  1  0.630  0.736  0.107  1.0
  O  O15  1  0.692  0.613  0.442  1.0
  O  O16  1  0.759  0.478  0.766  1.0
  O  O17  1  0.298  0.400  0.569  1.0
  O  O18  1  0.371  0.255  0.872  1.0
  O  O19  1  0.870  0.257  0.384  1.0
  O  O20  1  0.933  0.131  0.685  1.0
  O  O21  1  0.002  0.992  0.989  1.0
[/CIF]
.