Ti(FeN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form a mixture of distorted corner and edge-sharing FeN4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Fe site, Fe(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form FeN5 square pyramids that share  a cornercorner with one Fe(1)N4 tetrahedra, edges with two equivalent Fe(3)N5 square pyramids, and edges with two equivalent Fe(1)N4 tetrahedra. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one N(1), one N(3), and two equivalent N(4) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ti(1), one Fe(1), one Fe(4), and two equivalent Fe(3) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(1), and two equivalent Fe(2) atoms. In the third N site, N(3) is bonded to one Ti(1), one Fe(1), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms to form edge-sharing NTiFe5 octahedra. In the fourth N site, N(4) is bonded to one Ti(1), one Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form edge-sharing NTiFe5 octahedra.
Ti(FeN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Ti(1)-N(1) bond length is 1.98 Å. The Ti(1)-N(2) bond length is 2.01 Å. The Ti(1)-N(3) bond length is 2.02 Å. The Ti(1)-N(4) bond length is 1.97 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form a mixture of distorted corner and edge-sharing FeN4 tetrahedra. The Fe(1)-N(1) bond length is 2.04 Å. The Fe(1)-N(2) bond length is 1.83 Å. The Fe(1)-N(3) bond length is 1.89 Å. The Fe(1)-N(4) bond length is 1.93 Å. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. There is one shorter (1.89 Å) and one longer (1.90 Å) Fe(2)-N(2) bond length. There is one shorter (1.99 Å) and one longer (2.13 Å) Fe(2)-N(3) bond length. In the third Fe site, Fe(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form FeN5 square pyramids that share  a cornercorner with one Fe(1)N4 tetrahedra, edges with two equivalent Fe(3)N5 square pyramids, and edges with two equivalent Fe(1)N4 tetrahedra. The Fe(3)-N(3) bond length is 2.05 Å. There is one shorter (1.96 Å) and one longer (2.00 Å) Fe(3)-N(1) bond length. There is one shorter (1.92 Å) and one longer (2.03 Å) Fe(3)-N(4) bond length. In the fourth Fe site, Fe(4) is bonded in a 4-coordinate geometry to one N(1), one N(3), and two equivalent N(4) atoms. The Fe(4)-N(1) bond length is 1.95 Å. The Fe(4)-N(3) bond length is 2.00 Å. There is one shorter (2.06 Å) and one longer (2.18 Å) Fe(4)-N(4) bond length. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ti(1), one Fe(1), one Fe(4), and two equivalent Fe(3) atoms. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Fe(1), and two equivalent Fe(2) atoms. In the third N site, N(3) is bonded to one Ti(1), one Fe(1), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms to form edge-sharing NTiFe5 octahedra. In the fourth N site, N(4) is bonded to one Ti(1), one Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form edge-sharing NTiFe5 octahedra.