The structure described by Ti2N2O crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to one N(11), one N(14), one N(2), one O(2), one O(4), one O(5), and one O(8) atom. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to one N(1), one N(15), one N(16), one N(6), one N(7), one O(1), one O(4), and one O(7) atom. In the third Ti site, Ti(3) is bonded in a 3-coordinate geometry to one N(12), one N(16), one N(5), and one O(3) atom. In the fourth Ti site, Ti(4) is bonded in a 4-coordinate geometry to one N(13), one N(3), one N(6), and one O(8) atom. In the fifth Ti site, Ti(5) is bonded in a 1-coordinate geometry to one N(11), one N(5), one O(1), and one O(6) atom. In the sixth Ti site, Ti(6) is bonded in a distorted bent 150 degrees geometry to one N(10) and one N(14) atom. In the seventh Ti site, Ti(7) is bonded in a 1-coordinate geometry to one N(10), one N(4), one O(6), and one O(8) atom. In the eighth Ti site, Ti(8) is bonded in a distorted square co-planar geometry to one N(11), one N(14), one N(3), and one O(3) atom. In the ninth Ti site, Ti(9) is bonded in a rectangular see-saw-like geometry to one N(12), one N(13), one N(2), and one O(2) atom. In the tenth Ti site, Ti(10) is bonded in a 5-coordinate geometry to one N(1), one N(10), one N(16), one N(5), and one N(6) atom. In the eleventh Ti site, Ti(11) is bonded in a 4-coordinate geometry to one N(15), one N(4), one N(9), and one O(1) atom. In the twelfth Ti site, Ti(12) is bonded in a 3-coordinate geometry to one N(3), one N(9), and one O(8) atom. In the thirteenth Ti site, Ti(13) is bonded in a distorted bent 150 degrees geometry to one N(11), one N(4), and one O(3) atom. In the fourteenth Ti site, Ti(14) is bonded in a 4-coordinate geometry to one N(11), one O(2), one O(6), and one O(7) atom. In the fifteenth Ti site, Ti(15) is bonded in a 4-coordinate geometry to one N(14), one N(2), one N(9), and one O(1) atom. In the sixteenth Ti site, Ti(16) is bonded in a 7-coordinate geometry to one N(12), one N(13), one N(3), one N(7), one N(8), one O(3), and one O(6) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Ti(10), one Ti(2), and one N(6) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(15), one Ti(9), and one O(5) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Ti(12), one Ti(16), one Ti(4), and one Ti(8) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Ti(11), one Ti(13), and one Ti(7) atom. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one Ti(10), one Ti(3), and one Ti(5) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Ti(10), one Ti(2), one Ti(4), and one N(1) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Ti(16), one Ti(2), and one O(3) atom. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one Ti(16) and one N(12) atom. In the ninth N site, N(9) is bonded in a 1-coordinate geometry to one Ti(11), one Ti(12), and one Ti(15) atom. In the tenth N site, N(10) is bonded in a distorted T-shaped geometry to one Ti(10), one Ti(6), and one Ti(7) atom. In the eleventh N site, N(11) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(13), one Ti(14), one Ti(5), and one Ti(8) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Ti(16), one Ti(3), one Ti(9), and one N(8) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Ti(16), one Ti(4), and one Ti(9) atom. In the fourteenth N site, N(14) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(15), one Ti(6), one Ti(8), and one O(4) atom. In the fifteenth N site, N(15) is bonded in a distorted single-bond geometry to one Ti(11), one Ti(2), and one O(7) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Ti(10), one Ti(2), and one Ti(3) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(11), one Ti(15), one Ti(2), and one Ti(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(14), and one Ti(9) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ti(13), one Ti(16), one Ti(3), one Ti(8), and one N(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ti(1), one Ti(2), and one N(14) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ti(1) and one N(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(14), one Ti(16), one Ti(5), and one Ti(7) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(14), one Ti(2), and one N(15) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(12), one Ti(4), and one Ti(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.211
_cell_length_b   8.222
_cell_length_c   8.222
_cell_angle_alpha   109.606
_cell_angle_beta   109.412
_cell_angle_gamma   109.318
_symmetry_Int_Tables_number   1
_cell_volume   427.749
_cell_formula_units_Z   8
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
  Ti  Ti0  1  0.464  0.707  0.247  1.0
  Ti  Ti1  1  0.009  0.020  0.490  1.0
  Ti  Ti2  1  0.793  0.836  0.962  1.0
  Ti  Ti3  1  0.698  0.154  0.541  1.0
  Ti  Ti4  1  0.672  0.961  0.785  1.0
  Ti  Ti5  1  0.679  0.463  0.289  1.0
  Ti  Ti6  1  0.511  0.020  0.987  1.0
  Ti  Ti7  1  0.505  0.503  0.504  1.0
  Ti  Ti8  1  0.997  0.495  0.004  1.0
  Ti  Ti9  1  0.944  0.198  0.255  1.0
  Ti  Ti10  1  0.037  0.777  0.760  1.0
  Ti  Ti11  1  0.335  0.051  0.206  1.0
  Ti  Ti12  1  0.327  0.538  0.707  1.0
  Ti  Ti13  1  0.283  0.832  0.461  1.0
  Ti  Ti14  1  0.219  0.174  0.042  1.0
  Ti  Ti15  1  0.548  0.300  0.747  1.0
  N  N16  1  0.965  0.191  0.542  1.0
  N  N17  1  0.252  0.476  0.986  1.0
  N  N18  1  0.561  0.285  0.488  1.0
  N  N19  1  0.215  0.675  0.776  1.0
  N  N20  1  0.810  0.083  0.965  1.0
  N  N21  1  0.830  0.066  0.446  1.0
  N  N22  1  0.308  0.255  0.733  1.0
  N  N23  1  0.594  0.329  0.947  1.0
  N  N24  1  0.184  0.911  0.042  1.0
  N  N25  1  0.779  0.321  0.227  1.0
  N  N26  1  0.437  0.711  0.511  1.0
  N  N27  1  0.752  0.526  0.012  1.0
  N  N28  1  0.823  0.311  0.726  1.0
  N  N29  1  0.507  0.496  0.227  1.0
  N  N30  1  0.031  0.804  0.461  1.0
  N  N31  1  0.996  0.954  0.276  1.0
  O  O32  1  0.995  0.038  0.729  1.0
  O  O33  1  0.181  0.689  0.276  1.0
  O  O34  1  0.491  0.499  0.774  1.0
  O  O35  1  0.689  0.744  0.266  1.0
  O  O36  1  0.413  0.676  0.048  1.0
  O  O37  1  0.452  0.003  0.771  1.0
  O  O38  1  0.171  0.934  0.553  1.0
  O  O39  1  0.544  0.992  0.233  1.0
[/CIF]
.
The structure described by Ti2N2O crystallizes in the triclinic P1 space group. There are sixteen inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 7-coordinate geometry to one N(11), one N(14), one N(2), one O(2), one O(4), one O(5), and one O(8) atom. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to one N(1), one N(15), one N(16), one N(6), one N(7), one O(1), one O(4), and one O(7) atom. In the third Ti site, Ti(3) is bonded in a 3-coordinate geometry to one N(12), one N(16), one N(5), and one O(3) atom. In the fourth Ti site, Ti(4) is bonded in a 4-coordinate geometry to one N(13), one N(3), one N(6), and one O(8) atom. In the fifth Ti site, Ti(5) is bonded in a 1-coordinate geometry to one N(11), one N(5), one O(1), and one O(6) atom. In the sixth Ti site, Ti(6) is bonded in a distorted bent 150 degrees geometry to one N(10) and one N(14) atom. In the seventh Ti site, Ti(7) is bonded in a 1-coordinate geometry to one N(10), one N(4), one O(6), and one O(8) atom. In the eighth Ti site, Ti(8) is bonded in a distorted square co-planar geometry to one N(11), one N(14), one N(3), and one O(3) atom. In the ninth Ti site, Ti(9) is bonded in a rectangular see-saw-like geometry to one N(12), one N(13), one N(2), and one O(2) atom. In the tenth Ti site, Ti(10) is bonded in a 5-coordinate geometry to one N(1), one N(10), one N(16), one N(5), and one N(6) atom. In the eleventh Ti site, Ti(11) is bonded in a 4-coordinate geometry to one N(15), one N(4), one N(9), and one O(1) atom. In the twelfth Ti site, Ti(12) is bonded in a 3-coordinate geometry to one N(3), one N(9), and one O(8) atom. In the thirteenth Ti site, Ti(13) is bonded in a distorted bent 150 degrees geometry to one N(11), one N(4), and one O(3) atom. In the fourteenth Ti site, Ti(14) is bonded in a 4-coordinate geometry to one N(11), one O(2), one O(6), and one O(7) atom. In the fifteenth Ti site, Ti(15) is bonded in a 4-coordinate geometry to one N(14), one N(2), one N(9), and one O(1) atom. In the sixteenth Ti site, Ti(16) is bonded in a 7-coordinate geometry to one N(12), one N(13), one N(3), one N(7), one N(8), one O(3), and one O(6) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Ti(10), one Ti(2), and one N(6) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(15), one Ti(9), and one O(5) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Ti(12), one Ti(16), one Ti(4), and one Ti(8) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Ti(11), one Ti(13), and one Ti(7) atom. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one Ti(10), one Ti(3), and one Ti(5) atom. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Ti(10), one Ti(2), one Ti(4), and one N(1) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Ti(16), one Ti(2), and one O(3) atom. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one Ti(16) and one N(12) atom. In the ninth N site, N(9) is bonded in a 1-coordinate geometry to one Ti(11), one Ti(12), and one Ti(15) atom. In the tenth N site, N(10) is bonded in a distorted T-shaped geometry to one Ti(10), one Ti(6), and one Ti(7) atom. In the eleventh N site, N(11) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(13), one Ti(14), one Ti(5), and one Ti(8) atom. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Ti(16), one Ti(3), one Ti(9), and one N(8) atom. In the thirteenth N site, N(13) is bonded in a 3-coordinate geometry to one Ti(16), one Ti(4), and one Ti(9) atom. In the fourteenth N site, N(14) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(15), one Ti(6), one Ti(8), and one O(4) atom. In the fifteenth N site, N(15) is bonded in a distorted single-bond geometry to one Ti(11), one Ti(2), and one O(7) atom. In the sixteenth N site, N(16) is bonded in a 3-coordinate geometry to one Ti(10), one Ti(2), and one Ti(3) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(11), one Ti(15), one Ti(2), and one Ti(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(14), and one Ti(9) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ti(13), one Ti(16), one Ti(3), one Ti(8), and one N(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ti(1), one Ti(2), and one N(14) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ti(1) and one N(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(14), one Ti(16), one Ti(5), and one Ti(7) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(14), one Ti(2), and one N(15) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(12), one Ti(4), and one Ti(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.211
_cell_length_b   8.222
_cell_length_c   8.222
_cell_angle_alpha   109.606
_cell_angle_beta   109.412
_cell_angle_gamma   109.318
_symmetry_Int_Tables_number   1
_cell_volume   427.749
_cell_formula_units_Z   8
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
  Ti  Ti0  1  0.464  0.707  0.247  1.0
  Ti  Ti1  1  0.009  0.020  0.490  1.0
  Ti  Ti2  1  0.793  0.836  0.962  1.0
  Ti  Ti3  1  0.698  0.154  0.541  1.0
  Ti  Ti4  1  0.672  0.961  0.785  1.0
  Ti  Ti5  1  0.679  0.463  0.289  1.0
  Ti  Ti6  1  0.511  0.020  0.987  1.0
  Ti  Ti7  1  0.505  0.503  0.504  1.0
  Ti  Ti8  1  0.997  0.495  0.004  1.0
  Ti  Ti9  1  0.944  0.198  0.255  1.0
  Ti  Ti10  1  0.037  0.777  0.760  1.0
  Ti  Ti11  1  0.335  0.051  0.206  1.0
  Ti  Ti12  1  0.327  0.538  0.707  1.0
  Ti  Ti13  1  0.283  0.832  0.461  1.0
  Ti  Ti14  1  0.219  0.174  0.042  1.0
  Ti  Ti15  1  0.548  0.300  0.747  1.0
  N  N16  1  0.965  0.191  0.542  1.0
  N  N17  1  0.252  0.476  0.986  1.0
  N  N18  1  0.561  0.285  0.488  1.0
  N  N19  1  0.215  0.675  0.776  1.0
  N  N20  1  0.810  0.083  0.965  1.0
  N  N21  1  0.830  0.066  0.446  1.0
  N  N22  1  0.308  0.255  0.733  1.0
  N  N23  1  0.594  0.329  0.947  1.0
  N  N24  1  0.184  0.911  0.042  1.0
  N  N25  1  0.779  0.321  0.227  1.0
  N  N26  1  0.437  0.711  0.511  1.0
  N  N27  1  0.752  0.526  0.012  1.0
  N  N28  1  0.823  0.311  0.726  1.0
  N  N29  1  0.507  0.496  0.227  1.0
  N  N30  1  0.031  0.804  0.461  1.0
  N  N31  1  0.996  0.954  0.276  1.0
  O  O32  1  0.995  0.038  0.729  1.0
  O  O33  1  0.181  0.689  0.276  1.0
  O  O34  1  0.491  0.499  0.774  1.0
  O  O35  1  0.689  0.744  0.266  1.0
  O  O36  1  0.413  0.676  0.048  1.0
  O  O37  1  0.452  0.003  0.771  1.0
  O  O38  1  0.171  0.934  0.553  1.0
  O  O39  1  0.544  0.992  0.233  1.0
[/CIF]
.