The structure 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(1), one N(2), one O(4), 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 N(2), one O(4), one O(6), 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(6), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)N3O3 octahedra,  a cornercorner with one Ti(6)N3O3 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(3)N3O3 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(5)NO5 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third Ti site, Ti(3) is bonded to one N(2), two equivalent N(1), one O(2), one O(3), and one O(7) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)N3O3 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(6)N3O3 octahedra, and edges with two equivalent Ti(5)NO5 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fourth Ti site, Ti(4) is bonded to one O(4), one O(5), one O(8), one O(9), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(6)N3O3 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(5)NO5 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fifth Ti site, Ti(5) is bonded to one N(1), one O(10), one O(5), one O(9), and two equivalent O(7) atoms to form TiNO5 octahedra that share corners with two equivalent Ti(5)NO5 octahedra,  an edgeedge with one Ti(6)N3O3 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)N3O3 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth Ti site, Ti(6) is bonded to one N(1), two equivalent N(2), one O(10), one O(11), and one O(8) atom to form TiN3O3 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(6)N3O3 octahedra,  an edgeedge with one Ti(5)NO5 octahedra, and edges with two equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. In the second N site, N(2) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), one Ti(3), and two equivalent Ti(6) 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 bent 150 degrees 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 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 Ba(2), one Ti(1), one Ti(2), and two equivalent Ti(4) 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 corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate 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 water-like geometry to two equivalent Ba(2), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ti(5), and one Ti(6) atom. 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 card [CIF]
data_Ba2Ti6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.957
_cell_length_b   7.957
_cell_length_c   9.241
_cell_angle_alpha   81.599
_cell_angle_beta   81.599
_cell_angle_gamma   28.735
_symmetry_Int_Tables_number   1
_cell_volume   278.045
_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  0.553  0.553  0.234  1.0
  Ba  Ba1  1  0.451  0.451  0.774  1.0
  Ti  Ti2  1  0.119  0.119  0.911  1.0
  Ti  Ti3  1  0.168  0.168  0.560  1.0
  Ti  Ti4  1  0.249  0.249  0.222  1.0
  Ti  Ti5  1  0.763  0.763  0.767  1.0
  Ti  Ti6  1  0.827  0.827  0.428  1.0
  Ti  Ti7  1  0.875  0.875  0.103  1.0
  N  N8  1  0.762  0.762  0.246  1.0
  N  N9  1  0.361  0.361  0.103  1.0
  O  O10  1  0.074  0.074  0.706  1.0
  O  O11  1  0.126  0.126  0.391  1.0
  O  O12  1  0.164  0.164  0.089  1.0
  O  O13  1  0.639  0.639  0.885  1.0
  O  O14  1  0.700  0.700  0.572  1.0
  O  O15  1  0.240  0.240  0.760  1.0
  O  O16  1  0.298  0.298  0.432  1.0
  O  O17  1  0.834  0.834  0.905  1.0
  O  O18  1  0.865  0.865  0.617  1.0
  O  O19  1  0.928  0.928  0.298  1.0
  O  O20  1  0.004  0.004  0.997  1.0
[/CIF]
.
The structure 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(1), one N(2), one O(4), 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 N(2), one O(4), one O(6), 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(6), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)N3O3 octahedra,  a cornercorner with one Ti(6)N3O3 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(3)N3O3 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(5)NO5 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 29°. In the third Ti site, Ti(3) is bonded to one N(2), two equivalent N(1), one O(2), one O(3), and one O(7) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(3)N3O3 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(6)N3O3 octahedra, and edges with two equivalent Ti(5)NO5 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fourth Ti site, Ti(4) is bonded to one O(4), one O(5), one O(8), one O(9), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(6)N3O3 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(5)NO5 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-21°. In the fifth Ti site, Ti(5) is bonded to one N(1), one O(10), one O(5), one O(9), and two equivalent O(7) atoms to form TiNO5 octahedra that share corners with two equivalent Ti(5)NO5 octahedra,  an edgeedge with one Ti(6)N3O3 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)N3O3 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the sixth Ti site, Ti(6) is bonded to one N(1), two equivalent N(2), one O(10), one O(11), and one O(8) atom to form TiN3O3 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(6)N3O3 octahedra,  an edgeedge with one Ti(5)NO5 octahedra, and edges with two equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one Ba(1), one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. In the second N site, N(2) is bonded in a T-shaped geometry to one Ba(1), one Ba(2), one Ti(3), and two equivalent Ti(6) 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 bent 150 degrees 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 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 Ba(2), one Ti(1), one Ti(2), and two equivalent Ti(4) 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 corner and edge-sharing OTi4 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate 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 water-like geometry to two equivalent Ba(2), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ti(5), and one Ti(6) atom. 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 card [CIF]
data_Ba2Ti6N2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.957
_cell_length_b   7.957
_cell_length_c   9.241
_cell_angle_alpha   81.599
_cell_angle_beta   81.599
_cell_angle_gamma   28.735
_symmetry_Int_Tables_number   1
_cell_volume   278.045
_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  0.553  0.553  0.234  1.0
  Ba  Ba1  1  0.451  0.451  0.774  1.0
  Ti  Ti2  1  0.119  0.119  0.911  1.0
  Ti  Ti3  1  0.168  0.168  0.560  1.0
  Ti  Ti4  1  0.249  0.249  0.222  1.0
  Ti  Ti5  1  0.763  0.763  0.767  1.0
  Ti  Ti6  1  0.827  0.827  0.428  1.0
  Ti  Ti7  1  0.875  0.875  0.103  1.0
  N  N8  1  0.762  0.762  0.246  1.0
  N  N9  1  0.361  0.361  0.103  1.0
  O  O10  1  0.074  0.074  0.706  1.0
  O  O11  1  0.126  0.126  0.391  1.0
  O  O12  1  0.164  0.164  0.089  1.0
  O  O13  1  0.639  0.639  0.885  1.0
  O  O14  1  0.700  0.700  0.572  1.0
  O  O15  1  0.240  0.240  0.760  1.0
  O  O16  1  0.298  0.298  0.432  1.0
  O  O17  1  0.834  0.834  0.905  1.0
  O  O18  1  0.865  0.865  0.617  1.0
  O  O19  1  0.928  0.928  0.298  1.0
  O  O20  1  0.004  0.004  0.997  1.0
[/CIF]
.