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.
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. The Ti(1)-N(13) bond length is 2.61 Å. The Ti(1)-N(14) bond length is 2.16 Å. The Ti(1)-N(2) bond length is 1.87 Å. The Ti(1)-O(2) bond length is 1.98 Å. 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. The Ti(2)-N(13) bond length is 1.43 Å. The Ti(2)-O(8) bond length is 1.74 Å. 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. The Ti(3)-N(11) bond length is 1.98 Å. The Ti(3)-N(13) bond length is 1.85 Å. The Ti(3)-N(14) bond length is 2.12 Å. The Ti(3)-N(8) bond length is 2.31 Å. The Ti(3)-N(9) bond length is 1.42 Å. The Ti(3)-O(3) bond length is 2.33 Å. The Ti(3)-O(4) bond length is 1.78 Å. 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. The Ti(4)-N(1) bond length is 1.94 Å. The Ti(4)-N(6) bond length is 2.49 Å. The Ti(4)-N(7) bond length is 2.23 Å. The Ti(4)-O(7) bond length is 2.06 Å. 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. The Ti(5)-N(1) bond length is 2.18 Å. The Ti(5)-N(11) bond length is 2.44 Å. The Ti(5)-N(13) bond length is 2.32 Å. The Ti(5)-N(7) bond length is 2.19 Å. 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. The Ti(6)-N(12) bond length is 1.34 Å. The Ti(6)-N(15) bond length is 1.59 Å. The Ti(6)-N(2) bond length is 1.86 Å. The Ti(6)-N(5) bond length is 1.99 Å. The Ti(6)-N(8) bond length is 2.05 Å. 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. The Ti(7)-N(10) bond length is 2.18 Å. The Ti(7)-N(15) bond length is 1.65 Å. The Ti(7)-N(5) bond length is 1.53 Å. The Ti(7)-N(6) bond length is 1.81 Å. The Ti(7)-N(7) bond length is 2.00 Å. The Ti(7)-O(1) bond length is 1.73 Å. The Ti(7)-O(4) bond length is 2.42 Å. The Ti(7)-O(6) bond length is 1.60 Å. 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. The Ti(8)-N(11) bond length is 2.17 Å. The Ti(8)-N(12) bond length is 1.92 Å. The Ti(8)-N(3) bond length is 2.03 Å. The Ti(8)-O(3) bond length is 1.89 Å. 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. The Ti(9)-N(1) bond length is 1.34 Å. The Ti(9)-N(2) bond length is 2.05 Å. The Ti(9)-N(8) bond length is 1.81 Å. 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. The Ti(10)-N(8) bond length is 1.99 Å. The Ti(10)-O(5) bond length is 1.68 Å. The Ti(10)-O(7) bond length is 2.43 Å. The Ti(10)-O(8) bond length is 2.31 Å. 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. The Ti(11)-N(14) bond length is 2.08 Å. The Ti(11)-N(16) bond length is 1.30 Å. The Ti(11)-O(5) bond length is 1.85 Å. 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. The Ti(12)-N(14) bond length is 1.84 Å. The Ti(12)-N(6) bond length is 1.95 Å. The Ti(12)-O(1) bond length is 1.57 Å. The Ti(12)-O(3) bond length is 1.31 Å. The Ti(12)-O(5) bond length is 2.08 Å. 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. The Ti(13)-N(16) bond length is 2.13 Å. The Ti(13)-N(3) bond length is 2.58 Å. The Ti(13)-O(2) bond length is 2.42 Å. The Ti(13)-O(6) bond length is 2.17 Å. 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. The Ti(14)-N(10) bond length is 1.79 Å. The Ti(14)-N(12) bond length is 2.32 Å. The Ti(14)-N(2) bond length is 2.11 Å. The Ti(14)-N(3) bond length is 1.97 Å. The Ti(14)-N(4) bond length is 1.49 Å. The Ti(14)-O(2) bond length is 1.80 Å. The Ti(14)-O(5) bond length is 2.37 Å. 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. The Ti(15)-N(16) bond length is 1.98 Å. The Ti(15)-N(5) bond length is 2.40 Å. The Ti(15)-O(6) bond length is 2.21 Å. The Ti(15)-O(8) bond length is 1.99 Å. 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. The Ti(16)-N(10) bond length is 2.29 Å. The Ti(16)-N(5) bond length is 2.79 Å. The Ti(16)-O(2) bond length is 1.48 Å. The Ti(16)-O(7) bond length is 1.75 Å. 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. The N(3)-N(4) bond length is 1.54 Å. 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. The N(5)-N(15) bond length is 1.09 Å. 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. The N(6)-O(1) bond length is 1.12 Å. 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. The N(9)-N(11) bond length is 1.55 Å. 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. The N(10)-O(2) bond length is 1.83 Å. 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. The N(13)-O(4) bond length is 1.85 Å. 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.