Ti(CrN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent Cr sites. In the first Cr site, Cr(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 CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Cr site, Cr(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form CrN5 square pyramids that share corners with three equivalent Cr(4)N5 square pyramids,  a cornercorner with one Cr(1)N4 tetrahedra, edges with two equivalent Cr(3)N5 square pyramids, edges with three equivalent Cr(4)N5 square pyramids, and edges with two equivalent Cr(1)N4 tetrahedra. In the fourth Cr site, Cr(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form CrN5 square pyramids that share corners with three equivalent Cr(3)N5 square pyramids, corners with three equivalent Cr(1)N4 tetrahedra, edges with two equivalent Cr(4)N5 square pyramids, edges with three equivalent Cr(3)N5 square pyramids, and  an edgeedge with one Cr(1)N4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Cr(1), two equivalent Cr(3), and two equivalent Cr(4) atoms to form NTiCr5 octahedra that share corners with two equivalent N(3)TiCr5 octahedra, corners with two equivalent N(4)TiCr5 octahedra, corners with two equivalent N(2)TiCr3 tetrahedra, edges with two equivalent N(1)TiCr5 octahedra, edges with two equivalent N(3)TiCr5 octahedra, and edges with four equivalent N(4)TiCr5 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second N site, N(2) is bonded to one Ti(1), one Cr(1), and two equivalent Cr(2) atoms to form NTiCr3 tetrahedra that share corners with two equivalent N(1)TiCr5 octahedra, corners with two equivalent N(4)TiCr5 octahedra, corners with six equivalent N(3)TiCr5 octahedra, and  an edgeedge with one N(2)TiCr3 tetrahedra. The corner-sharing octahedral tilt angles range from 49-76°. In the third N site, N(3) is bonded to one Ti(1), one Cr(1), one Cr(3), one Cr(4), and two equivalent Cr(2) atoms to form NTiCr5 octahedra that share corners with two equivalent N(1)TiCr5 octahedra, corners with six equivalent N(2)TiCr3 tetrahedra,  an edgeedge with one N(3)TiCr5 octahedra, edges with two equivalent N(1)TiCr5 octahedra, and edges with three equivalent N(4)TiCr5 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth N site, N(4) is bonded to one Ti(1), one Cr(1), two equivalent Cr(3), and two equivalent Cr(4) atoms to form NTiCr5 octahedra that share corners with two equivalent N(1)TiCr5 octahedra, corners with two equivalent N(2)TiCr3 tetrahedra, edges with two equivalent N(4)TiCr5 octahedra, edges with three equivalent N(3)TiCr5 octahedra, and edges with four equivalent N(1)TiCr5 octahedra. The corner-sharing octahedral tilt angles range from 12-13°.
Ti(CrN)4 crystallizes in the triclinic P-1 space group. Ti(1) is bonded in a 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 2.03 Å. The Ti(1)-N(2) bond length is 1.93 Å. The Ti(1)-N(3) bond length is 2.06 Å. The Ti(1)-N(4) bond length is 2.01 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(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 CrN4 tetrahedra. The Cr(1)-N(1) bond length is 1.95 Å. The Cr(1)-N(2) bond length is 1.85 Å. The Cr(1)-N(3) bond length is 2.00 Å. The Cr(1)-N(4) bond length is 1.93 Å. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. Both Cr(2)-N(2) bond lengths are 1.90 Å. Both Cr(2)-N(3) bond lengths are 2.00 Å. In the third Cr site, Cr(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form CrN5 square pyramids that share corners with three equivalent Cr(4)N5 square pyramids,  a cornercorner with one Cr(1)N4 tetrahedra, edges with two equivalent Cr(3)N5 square pyramids, edges with three equivalent Cr(4)N5 square pyramids, and edges with two equivalent Cr(1)N4 tetrahedra. The Cr(3)-N(3) bond length is 2.11 Å. There is one shorter (2.02 Å) and one longer (2.06 Å) Cr(3)-N(1) bond length. Both Cr(3)-N(4) bond lengths are 2.06 Å. In the fourth Cr site, Cr(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form CrN5 square pyramids that share corners with three equivalent Cr(3)N5 square pyramids, corners with three equivalent Cr(1)N4 tetrahedra, edges with two equivalent Cr(4)N5 square pyramids, edges with three equivalent Cr(3)N5 square pyramids, and  an edgeedge with one Cr(1)N4 tetrahedra. The Cr(4)-N(3) bond length is 2.08 Å. There is one shorter (2.04 Å) and one longer (2.07 Å) Cr(4)-N(1) bond length. There is one shorter (2.06 Å) and one longer (2.10 Å) Cr(4)-N(4) bond length. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Cr(1), two equivalent Cr(3), and two equivalent Cr(4) atoms to form NTiCr5 octahedra that share corners with two equivalent N(3)TiCr5 octahedra, corners with two equivalent N(4)TiCr5 octahedra, corners with two equivalent N(2)TiCr3 tetrahedra, edges with two equivalent N(1)TiCr5 octahedra, edges with two equivalent N(3)TiCr5 octahedra, and edges with four equivalent N(4)TiCr5 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. In the second N site, N(2) is bonded to one Ti(1), one Cr(1), and two equivalent Cr(2) atoms to form NTiCr3 tetrahedra that share corners with two equivalent N(1)TiCr5 octahedra, corners with two equivalent N(4)TiCr5 octahedra, corners with six equivalent N(3)TiCr5 octahedra, and  an edgeedge with one N(2)TiCr3 tetrahedra. The corner-sharing octahedral tilt angles range from 49-76°. In the third N site, N(3) is bonded to one Ti(1), one Cr(1), one Cr(3), one Cr(4), and two equivalent Cr(2) atoms to form NTiCr5 octahedra that share corners with two equivalent N(1)TiCr5 octahedra, corners with six equivalent N(2)TiCr3 tetrahedra,  an edgeedge with one N(3)TiCr5 octahedra, edges with two equivalent N(1)TiCr5 octahedra, and edges with three equivalent N(4)TiCr5 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth N site, N(4) is bonded to one Ti(1), one Cr(1), two equivalent Cr(3), and two equivalent Cr(4) atoms to form NTiCr5 octahedra that share corners with two equivalent N(1)TiCr5 octahedra, corners with two equivalent N(2)TiCr3 tetrahedra, edges with two equivalent N(4)TiCr5 octahedra, edges with three equivalent N(3)TiCr5 octahedra, and edges with four equivalent N(1)TiCr5 octahedra. The corner-sharing octahedral tilt angles range from 12-13°.