The material described by Ba2Ti6N2O11 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one N(2), one O(4), one O(7), two equivalent O(10), two equivalent O(11), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(4), one O(5), one O(7), two equivalent O(1), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(3), one O(5), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)N2O4 octahedra,  a cornercorner with one Ti(6)NO5 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)N2O4 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the second Ti site, Ti(2) is bonded to two equivalent N(1), one O(1), one O(2), one O(5), and one O(6) atom to form distorted TiN2O4 octahedra that share corners with two equivalent Ti(2)N2O4 octahedra,  an edgeedge with one Ti(3)N2O4 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(5)N2O4 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles are 30°. In the third Ti site, Ti(3) is bonded to two equivalent N(2), one O(2), one O(3), one O(6), and one O(7) atom to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)N2O4 octahedra,  an edgeedge with one Ti(2)N2O4 octahedra, edges with two equivalent Ti(5)N2O4 octahedra, and edges with two equivalent Ti(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. In the fourth Ti site, Ti(4) is bonded to one N(1), one O(4), one O(8), one O(9), and two equivalent O(5) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(6)NO5 octahedra, corners with two equivalent Ti(4)NO5 octahedra,  an edgeedge with one Ti(5)N2O4 octahedra, edges with two equivalent Ti(2)N2O4 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. In the fifth Ti site, Ti(5) is bonded to one N(1), one N(2), one O(10), one O(9), and two equivalent O(6) atoms to form distorted TiN2O4 octahedra that share corners with two equivalent Ti(5)N2O4 octahedra,  an edgeedge with one Ti(4)NO5 octahedra,  an edgeedge with one Ti(6)NO5 octahedra, edges with two equivalent Ti(2)N2O4 octahedra, and edges with two equivalent Ti(3)N2O4 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(10), one O(11), one O(8), and two equivalent O(7) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(4)NO5 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(6)NO5 octahedra,  an edgeedge with one Ti(5)N2O4 octahedra, and edges with two equivalent Ti(3)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 1-24°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one O(10)Ba2Ti2 tetrahedra, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent O(6)Ti4 trigonal pyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Ti(1), and one Ti(2) atom. 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 distorted linear 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 one Ba(1), one Ba(2), one Ti(4), 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(2), one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the sixth O site, O(6) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form OTi4 trigonal pyramids that share corners with two equivalent O(10)Ba2Ti2 tetrahedra, corners with two equivalent O(6)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), one Ti(3), and two equivalent Ti(6) atoms. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Ti(4), and one Ti(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded to two equivalent Ba(1), one Ti(5), and one Ti(6) atom to form distorted OBa2Ti2 tetrahedra that share corners with two equivalent O(10)Ba2Ti2 tetrahedra,  a cornercorner with one N(1)Ti4 trigonal pyramid, and corners with two equivalent O(6)Ti4 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(6) atom. is represented by the CIF file [CIF]
data_Ba2Ti6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.955
_cell_length_b   7.955
_cell_length_c   9.194
_cell_angle_alpha   81.727
_cell_angle_beta   81.727
_cell_angle_gamma   28.749
_symmetry_Int_Tables_number   1
_cell_volume   276.708
_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  0.543  0.543  0.236  1.0
  Ba  Ba1  1  0.444  0.444  0.772  1.0
  Ti  Ti2  1  0.111  0.111  0.907  1.0
  Ti  Ti3  1  0.168  0.168  0.562  1.0
  Ti  Ti4  1  0.234  0.234  0.229  1.0
  Ti  Ti5  1  0.754  0.754  0.760  1.0
  Ti  Ti6  1  0.822  0.822  0.437  1.0
  Ti  Ti7  1  0.865  0.865  0.100  1.0
  N  N8  1  0.701  0.701  0.574  1.0
  N  N9  1  0.756  0.756  0.234  1.0
  O  O10  1  0.070  0.070  0.707  1.0
  O  O11  1  0.126  0.126  0.383  1.0
  O  O12  1  0.159  0.159  0.089  1.0
  O  O13  1  0.634  0.634  0.888  1.0
  O  O14  1  0.238  0.238  0.764  1.0
  O  O15  1  0.296  0.296  0.425  1.0
  O  O16  1  0.358  0.358  0.106  1.0
  O  O17  1  0.833  0.833  0.906  1.0
  O  O18  1  0.868  0.868  0.614  1.0
  O  O19  1  0.922  0.922  0.290  1.0
  O  O20  1  0.998  0.998  0.997  1.0
[/CIF]
.
The material described by Ba2Ti6N2O11 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one N(2), one O(4), one O(7), two equivalent O(10), two equivalent O(11), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(4), one O(5), one O(7), two equivalent O(1), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(3), one O(5), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)N2O4 octahedra,  a cornercorner with one Ti(6)NO5 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)N2O4 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the second Ti site, Ti(2) is bonded to two equivalent N(1), one O(1), one O(2), one O(5), and one O(6) atom to form distorted TiN2O4 octahedra that share corners with two equivalent Ti(2)N2O4 octahedra,  an edgeedge with one Ti(3)N2O4 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(5)N2O4 octahedra, and edges with two equivalent Ti(4)NO5 octahedra. The corner-sharing octahedral tilt angles are 30°. In the third Ti site, Ti(3) is bonded to two equivalent N(2), one O(2), one O(3), one O(6), and one O(7) atom to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)N2O4 octahedra,  an edgeedge with one Ti(2)N2O4 octahedra, edges with two equivalent Ti(5)N2O4 octahedra, and edges with two equivalent Ti(6)NO5 octahedra. The corner-sharing octahedral tilt angles range from 16-20°. In the fourth Ti site, Ti(4) is bonded to one N(1), one O(4), one O(8), one O(9), and two equivalent O(5) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(6)NO5 octahedra, corners with two equivalent Ti(4)NO5 octahedra,  an edgeedge with one Ti(5)N2O4 octahedra, edges with two equivalent Ti(2)N2O4 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-24°. In the fifth Ti site, Ti(5) is bonded to one N(1), one N(2), one O(10), one O(9), and two equivalent O(6) atoms to form distorted TiN2O4 octahedra that share corners with two equivalent Ti(5)N2O4 octahedra,  an edgeedge with one Ti(4)NO5 octahedra,  an edgeedge with one Ti(6)NO5 octahedra, edges with two equivalent Ti(2)N2O4 octahedra, and edges with two equivalent Ti(3)N2O4 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth Ti site, Ti(6) is bonded to one N(2), one O(10), one O(11), one O(8), and two equivalent O(7) atoms to form TiNO5 octahedra that share  a cornercorner with one Ti(4)NO5 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(6)NO5 octahedra,  an edgeedge with one Ti(5)N2O4 octahedra, and edges with two equivalent Ti(3)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 1-24°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one O(10)Ba2Ti2 tetrahedra, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent O(6)Ti4 trigonal pyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Ti(1), and one Ti(2) atom. 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 distorted linear 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 one Ba(1), one Ba(2), one Ti(4), 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(2), one Ti(1), one Ti(2), and two equivalent Ti(4) atoms. In the sixth O site, O(6) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form OTi4 trigonal pyramids that share corners with two equivalent O(10)Ba2Ti2 tetrahedra, corners with two equivalent O(6)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), one Ti(3), and two equivalent Ti(6) atoms. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Ti(4), and one Ti(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(2), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded to two equivalent Ba(1), one Ti(5), and one Ti(6) atom to form distorted OBa2Ti2 tetrahedra that share corners with two equivalent O(10)Ba2Ti2 tetrahedra,  a cornercorner with one N(1)Ti4 trigonal pyramid, and corners with two equivalent O(6)Ti4 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(6) atom. is represented by the CIF file [CIF]
data_Ba2Ti6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.955
_cell_length_b   7.955
_cell_length_c   9.194
_cell_angle_alpha   81.727
_cell_angle_beta   81.727
_cell_angle_gamma   28.749
_symmetry_Int_Tables_number   1
_cell_volume   276.708
_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  0.543  0.543  0.236  1.0
  Ba  Ba1  1  0.444  0.444  0.772  1.0
  Ti  Ti2  1  0.111  0.111  0.907  1.0
  Ti  Ti3  1  0.168  0.168  0.562  1.0
  Ti  Ti4  1  0.234  0.234  0.229  1.0
  Ti  Ti5  1  0.754  0.754  0.760  1.0
  Ti  Ti6  1  0.822  0.822  0.437  1.0
  Ti  Ti7  1  0.865  0.865  0.100  1.0
  N  N8  1  0.701  0.701  0.574  1.0
  N  N9  1  0.756  0.756  0.234  1.0
  O  O10  1  0.070  0.070  0.707  1.0
  O  O11  1  0.126  0.126  0.383  1.0
  O  O12  1  0.159  0.159  0.089  1.0
  O  O13  1  0.634  0.634  0.888  1.0
  O  O14  1  0.238  0.238  0.764  1.0
  O  O15  1  0.296  0.296  0.425  1.0
  O  O16  1  0.358  0.358  0.106  1.0
  O  O17  1  0.833  0.833  0.906  1.0
  O  O18  1  0.868  0.868  0.614  1.0
  O  O19  1  0.922  0.922  0.290  1.0
  O  O20  1  0.998  0.998  0.997  1.0
[/CIF]
.