The material described by Ba2Ti6N2O11 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)NO5 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)N3O3 octahedra, and edges with two equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Ti site, Ti(2) is bonded to three equivalent N(1), one O(1), one O(2), and one O(5) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third Ti site, Ti(3) is bonded to one N(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)NO5 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. N(1) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share corners with three equivalent O(1)Ba2Ti2 tetrahedra, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Ti(1), and one Ti(2) atom to form distorted OBa2Ti2 tetrahedra that share corners with two equivalent O(1)Ba2Ti2 tetrahedra and corners with three equivalent N(1)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(3), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ba2Ti6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.930
_cell_length_b   7.930
_cell_length_c   9.202
_cell_angle_alpha   81.632
_cell_angle_beta   81.632
_cell_angle_gamma   28.883
_symmetry_Int_Tables_number   1
_cell_volume   276.348
_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
  Ba  Ba0  1  0.452  0.452  0.766  1.0
  Ba  Ba1  1  0.548  0.548  0.234  1.0
  Ti  Ti2  1  0.880  0.880  0.093  1.0
  Ti  Ti3  1  0.825  0.825  0.445  1.0
  Ti  Ti4  1  0.758  0.758  0.763  1.0
  Ti  Ti5  1  0.242  0.242  0.237  1.0
  Ti  Ti6  1  0.175  0.175  0.555  1.0
  Ti  Ti7  1  0.120  0.120  0.907  1.0
  N  N8  1  0.296  0.296  0.421  1.0
  N  N9  1  0.704  0.704  0.579  1.0
  O  O10  1  0.924  0.924  0.287  1.0
  O  O11  1  0.872  0.872  0.618  1.0
  O  O12  1  0.838  0.838  0.909  1.0
  O  O13  1  0.362  0.362  0.109  1.0
  O  O14  1  0.243  0.243  0.772  1.0
  O  O15  1  0.757  0.757  0.228  1.0
  O  O16  1  0.638  0.638  0.891  1.0
  O  O17  1  0.162  0.162  0.091  1.0
  O  O18  1  0.128  0.128  0.382  1.0
  O  O19  1  0.076  0.076  0.713  1.0
  O  O20  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Ba2Ti6N2O11 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)NO5 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)N3O3 octahedra, and edges with two equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Ti site, Ti(2) is bonded to three equivalent N(1), one O(1), one O(2), and one O(5) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third Ti site, Ti(3) is bonded to one N(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)NO5 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 14-19°. N(1) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share corners with three equivalent O(1)Ba2Ti2 tetrahedra, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Ti(1), and one Ti(2) atom to form distorted OBa2Ti2 tetrahedra that share corners with two equivalent O(1)Ba2Ti2 tetrahedra and corners with three equivalent N(1)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Ti(2), and one Ti(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ti(1), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(3), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. In the sixth O site, O(6) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Ba2Ti6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.930
_cell_length_b   7.930
_cell_length_c   9.202
_cell_angle_alpha   81.632
_cell_angle_beta   81.632
_cell_angle_gamma   28.883
_symmetry_Int_Tables_number   1
_cell_volume   276.348
_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
  Ba  Ba0  1  0.452  0.452  0.766  1.0
  Ba  Ba1  1  0.548  0.548  0.234  1.0
  Ti  Ti2  1  0.880  0.880  0.093  1.0
  Ti  Ti3  1  0.825  0.825  0.445  1.0
  Ti  Ti4  1  0.758  0.758  0.763  1.0
  Ti  Ti5  1  0.242  0.242  0.237  1.0
  Ti  Ti6  1  0.175  0.175  0.555  1.0
  Ti  Ti7  1  0.120  0.120  0.907  1.0
  N  N8  1  0.296  0.296  0.421  1.0
  N  N9  1  0.704  0.704  0.579  1.0
  O  O10  1  0.924  0.924  0.287  1.0
  O  O11  1  0.872  0.872  0.618  1.0
  O  O12  1  0.838  0.838  0.909  1.0
  O  O13  1  0.362  0.362  0.109  1.0
  O  O14  1  0.243  0.243  0.772  1.0
  O  O15  1  0.757  0.757  0.228  1.0
  O  O16  1  0.638  0.638  0.891  1.0
  O  O17  1  0.162  0.162  0.091  1.0
  O  O18  1  0.128  0.128  0.382  1.0
  O  O19  1  0.076  0.076  0.713  1.0
  O  O20  1  0.000  0.000  0.000  1.0
[/CIF]
.