The material 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 3-coordinate geometry to one N(13), one N(14), one N(2), and one O(2) atom. In the second Ti site, Ti(2) is bonded in a distorted bent 150 degrees geometry to one N(13) and one O(8) atom. In the third Ti site, Ti(3) is bonded in a 1-coordinate geometry to one N(11), one N(13), one N(14), one N(8), one N(9), one O(3), and one O(4) atom. In the fourth Ti site, Ti(4) is bonded in a 4-coordinate geometry to one N(1), one N(6), one N(7), and one O(7) atom. In the fifth Ti site, Ti(5) is bonded in a 4-coordinate geometry to one N(1), one N(11), one N(13), and one N(7) atom. In the sixth Ti site, Ti(6) is bonded in a 4-coordinate geometry to one N(12), one N(15), one N(2), one N(5), and one N(8) atom. In the seventh Ti site, Ti(7) is bonded in a 8-coordinate geometry to one N(10), one N(15), one N(5), one N(6), one N(7), one O(1), one O(4), and one O(6) atom. In the eighth Ti site, Ti(8) is bonded in a 4-coordinate geometry to one N(11), one N(12), one N(3), and one O(3) atom. In the ninth Ti site, Ti(9) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(8) atom. In the tenth Ti site, Ti(10) is bonded in a 4-coordinate geometry to one N(8), one O(5), one O(7), and one O(8) atom. In the eleventh Ti site, Ti(11) is bonded in a 3-coordinate geometry to one N(14), one N(16), and one O(5) atom. In the twelfth Ti site, Ti(12) is bonded in a 5-coordinate geometry to one N(14), one N(6), one O(1), one O(3), and one O(5) atom. In the thirteenth Ti site, Ti(13) is bonded in a 4-coordinate geometry to one N(16), one N(3), one O(2), and one O(6) atom. In the fourteenth Ti site, Ti(14) is bonded in a 7-coordinate geometry to one N(10), one N(12), one N(2), one N(3), one N(4), one O(2), and one O(5) atom. In the fifteenth Ti site, Ti(15) is bonded in a 4-coordinate geometry to one N(16), one N(5), one O(6), and one O(8) atom. In the sixteenth Ti site, Ti(16) is bonded in a distorted bent 150 degrees geometry to one N(10), one N(5), one O(2), and one O(7) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 1-coordinate geometry to one Ti(4), one Ti(5), and one Ti(9) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(14), one Ti(6), and one Ti(9) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Ti(13), one Ti(14), one Ti(8), and one N(4) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one Ti(14) and one N(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ti(15), one Ti(16), one Ti(6), one Ti(7), and one N(15) atom. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one Ti(12), one Ti(4), one Ti(7), and one O(1) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Ti(4), one Ti(5), and one Ti(7) atom. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Ti(10), one Ti(3), one Ti(6), and one Ti(9) atom. In the ninth N site, N(9) is bonded in a single-bond geometry to one Ti(3) and one N(11) atom. In the tenth N site, N(10) is bonded in a 4-coordinate geometry to one Ti(14), one Ti(16), one Ti(7), and one O(2) atom. In the eleventh N site, N(11) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(5), one Ti(8), and one N(9) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Ti(14), one Ti(6), and one Ti(8) atom. In the thirteenth N site, N(13) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(2), one Ti(3), one Ti(5), and one O(4) atom. In the fourteenth N site, N(14) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(11), one Ti(12), and one Ti(3) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Ti(6), one Ti(7), and one N(5) atom. In the sixteenth N site, N(16) is bonded in a distorted single-bond geometry to one Ti(11), one Ti(13), and one Ti(15) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(12), one Ti(7), and one N(6) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(13), one Ti(14), one Ti(16), and one N(10) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(12), one Ti(3), and one Ti(8) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ti(3), one Ti(7), and one N(13) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ti(10), one Ti(11), one Ti(12), and one Ti(14) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(13), one Ti(15), and one Ti(7) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(10), one Ti(16), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(10), one Ti(15), and one Ti(2) atom. is represented by the CIF card [CIF]
data_Ti2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.214
_cell_length_b   8.228
_cell_length_c   8.232
_cell_angle_alpha   109.560
_cell_angle_beta   109.423
_cell_angle_gamma   109.348
_symmetry_Int_Tables_number   1
_cell_volume   428.699
_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  0.469  0.473  0.519  1.0
  Ti  Ti1  1  0.476  0.682  0.287  1.0
  Ti  Ti2  1  0.705  0.455  0.251  1.0
  Ti  Ti3  1  0.790  0.031  0.757  1.0
  Ti  Ti4  1  0.181  0.235  0.033  1.0
  Ti  Ti5  1  0.167  0.717  0.535  1.0
  Ti  Ti6  1  0.028  0.018  0.486  1.0
  Ti  Ti7  1  0.480  0.985  0.009  1.0
  Ti  Ti8  1  0.058  0.351  0.204  1.0
  Ti  Ti9  1  0.009  0.514  0.989  1.0
  Ti  Ti10  1  0.944  0.657  0.799  1.0
  Ti  Ti11  1  0.817  0.272  0.465  1.0
  Ti  Ti12  1  0.831  0.782  0.964  1.0
  Ti  Ti13  1  0.299  0.547  0.747  1.0
  Ti  Ti14  1  0.206  0.958  0.248  1.0
  Ti  Ti15  1  0.536  0.328  0.703  1.0
  N  N16  1  0.907  0.179  0.043  1.0
  N  N17  1  0.283  0.559  0.490  1.0
  N  N18  1  0.530  0.759  0.009  1.0
  N  N19  1  0.330  0.590  0.949  1.0
  N  N20  1  0.195  0.968  0.539  1.0
  N  N21  1  0.806  0.029  0.459  1.0
  N  N22  1  0.039  0.998  0.725  1.0
  N  N23  1  0.994  0.545  0.232  1.0
  N  N24  1  0.669  0.401  0.054  1.0
  N  N25  1  0.264  0.315  0.730  1.0
  N  N26  1  0.464  0.238  0.993  1.0
  N  N27  1  0.316  0.825  0.725  1.0
  N  N28  1  0.499  0.510  0.226  1.0
  N  N29  1  0.718  0.443  0.508  1.0
  N  N30  1  0.060  0.823  0.451  1.0
  N  N31  1  0.098  0.819  0.957  1.0
  O  O32  1  0.941  0.180  0.548  1.0
  O  O33  1  0.500  0.496  0.775  1.0
  O  O34  1  0.682  0.175  0.276  1.0
  O  O35  1  0.739  0.687  0.269  1.0
  O  O36  1  0.005  0.454  0.770  1.0
  O  O37  1  0.961  1.000  0.273  1.0
  O  O38  1  0.678  0.221  0.777  1.0
  O  O39  1  0.324  0.781  0.225  1.0
[/CIF]
.
The material 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 3-coordinate geometry to one N(13), one N(14), one N(2), and one O(2) atom. In the second Ti site, Ti(2) is bonded in a distorted bent 150 degrees geometry to one N(13) and one O(8) atom. In the third Ti site, Ti(3) is bonded in a 1-coordinate geometry to one N(11), one N(13), one N(14), one N(8), one N(9), one O(3), and one O(4) atom. In the fourth Ti site, Ti(4) is bonded in a 4-coordinate geometry to one N(1), one N(6), one N(7), and one O(7) atom. In the fifth Ti site, Ti(5) is bonded in a 4-coordinate geometry to one N(1), one N(11), one N(13), and one N(7) atom. In the sixth Ti site, Ti(6) is bonded in a 4-coordinate geometry to one N(12), one N(15), one N(2), one N(5), and one N(8) atom. In the seventh Ti site, Ti(7) is bonded in a 8-coordinate geometry to one N(10), one N(15), one N(5), one N(6), one N(7), one O(1), one O(4), and one O(6) atom. In the eighth Ti site, Ti(8) is bonded in a 4-coordinate geometry to one N(11), one N(12), one N(3), and one O(3) atom. In the ninth Ti site, Ti(9) is bonded in a 3-coordinate geometry to one N(1), one N(2), and one N(8) atom. In the tenth Ti site, Ti(10) is bonded in a 4-coordinate geometry to one N(8), one O(5), one O(7), and one O(8) atom. In the eleventh Ti site, Ti(11) is bonded in a 3-coordinate geometry to one N(14), one N(16), and one O(5) atom. In the twelfth Ti site, Ti(12) is bonded in a 5-coordinate geometry to one N(14), one N(6), one O(1), one O(3), and one O(5) atom. In the thirteenth Ti site, Ti(13) is bonded in a 4-coordinate geometry to one N(16), one N(3), one O(2), and one O(6) atom. In the fourteenth Ti site, Ti(14) is bonded in a 7-coordinate geometry to one N(10), one N(12), one N(2), one N(3), one N(4), one O(2), and one O(5) atom. In the fifteenth Ti site, Ti(15) is bonded in a 4-coordinate geometry to one N(16), one N(5), one O(6), and one O(8) atom. In the sixteenth Ti site, Ti(16) is bonded in a distorted bent 150 degrees geometry to one N(10), one N(5), one O(2), and one O(7) atom. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded in a 1-coordinate geometry to one Ti(4), one Ti(5), and one Ti(9) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(14), one Ti(6), and one Ti(9) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Ti(13), one Ti(14), one Ti(8), and one N(4) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one Ti(14) and one N(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Ti(15), one Ti(16), one Ti(6), one Ti(7), and one N(15) atom. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one Ti(12), one Ti(4), one Ti(7), and one O(1) atom. In the seventh N site, N(7) is bonded in a 3-coordinate geometry to one Ti(4), one Ti(5), and one Ti(7) atom. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Ti(10), one Ti(3), one Ti(6), and one Ti(9) atom. In the ninth N site, N(9) is bonded in a single-bond geometry to one Ti(3) and one N(11) atom. In the tenth N site, N(10) is bonded in a 4-coordinate geometry to one Ti(14), one Ti(16), one Ti(7), and one O(2) atom. In the eleventh N site, N(11) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(5), one Ti(8), and one N(9) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Ti(14), one Ti(6), and one Ti(8) atom. In the thirteenth N site, N(13) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(2), one Ti(3), one Ti(5), and one O(4) atom. In the fourteenth N site, N(14) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(11), one Ti(12), and one Ti(3) atom. In the fifteenth N site, N(15) is bonded in a 3-coordinate geometry to one Ti(6), one Ti(7), and one N(5) atom. In the sixteenth N site, N(16) is bonded in a distorted single-bond geometry to one Ti(11), one Ti(13), and one Ti(15) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(12), one Ti(7), and one N(6) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(13), one Ti(14), one Ti(16), and one N(10) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(12), one Ti(3), and one Ti(8) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ti(3), one Ti(7), and one N(13) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ti(10), one Ti(11), one Ti(12), and one Ti(14) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(13), one Ti(15), and one Ti(7) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ti(10), one Ti(16), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(10), one Ti(15), and one Ti(2) atom. is represented by the CIF card [CIF]
data_Ti2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.214
_cell_length_b   8.228
_cell_length_c   8.232
_cell_angle_alpha   109.560
_cell_angle_beta   109.423
_cell_angle_gamma   109.348
_symmetry_Int_Tables_number   1
_cell_volume   428.699
_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  0.469  0.473  0.519  1.0
  Ti  Ti1  1  0.476  0.682  0.287  1.0
  Ti  Ti2  1  0.705  0.455  0.251  1.0
  Ti  Ti3  1  0.790  0.031  0.757  1.0
  Ti  Ti4  1  0.181  0.235  0.033  1.0
  Ti  Ti5  1  0.167  0.717  0.535  1.0
  Ti  Ti6  1  0.028  0.018  0.486  1.0
  Ti  Ti7  1  0.480  0.985  0.009  1.0
  Ti  Ti8  1  0.058  0.351  0.204  1.0
  Ti  Ti9  1  0.009  0.514  0.989  1.0
  Ti  Ti10  1  0.944  0.657  0.799  1.0
  Ti  Ti11  1  0.817  0.272  0.465  1.0
  Ti  Ti12  1  0.831  0.782  0.964  1.0
  Ti  Ti13  1  0.299  0.547  0.747  1.0
  Ti  Ti14  1  0.206  0.958  0.248  1.0
  Ti  Ti15  1  0.536  0.328  0.703  1.0
  N  N16  1  0.907  0.179  0.043  1.0
  N  N17  1  0.283  0.559  0.490  1.0
  N  N18  1  0.530  0.759  0.009  1.0
  N  N19  1  0.330  0.590  0.949  1.0
  N  N20  1  0.195  0.968  0.539  1.0
  N  N21  1  0.806  0.029  0.459  1.0
  N  N22  1  0.039  0.998  0.725  1.0
  N  N23  1  0.994  0.545  0.232  1.0
  N  N24  1  0.669  0.401  0.054  1.0
  N  N25  1  0.264  0.315  0.730  1.0
  N  N26  1  0.464  0.238  0.993  1.0
  N  N27  1  0.316  0.825  0.725  1.0
  N  N28  1  0.499  0.510  0.226  1.0
  N  N29  1  0.718  0.443  0.508  1.0
  N  N30  1  0.060  0.823  0.451  1.0
  N  N31  1  0.098  0.819  0.957  1.0
  O  O32  1  0.941  0.180  0.548  1.0
  O  O33  1  0.500  0.496  0.775  1.0
  O  O34  1  0.682  0.175  0.276  1.0
  O  O35  1  0.739  0.687  0.269  1.0
  O  O36  1  0.005  0.454  0.770  1.0
  O  O37  1  0.961  1.000  0.273  1.0
  O  O38  1  0.678  0.221  0.777  1.0
  O  O39  1  0.324  0.781  0.225  1.0
[/CIF]
.