TiCrO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom.
TiCrO4 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. The Ti(1)-O(1) bond length is 2.06 Å. The Ti(1)-O(3) bond length is 2.05 Å. The Ti(1)-O(5) bond length is 1.92 Å. The Ti(1)-O(6) bond length is 1.95 Å. Both Ti(1)-O(8) bond lengths are 1.93 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with three equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-28°. The Ti(2)-O(2) bond length is 2.04 Å. The Ti(2)-O(4) bond length is 2.06 Å. The Ti(2)-O(5) bond length is 1.95 Å. The Ti(2)-O(6) bond length is 1.93 Å. Both Ti(2)-O(7) bond lengths are 1.93 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(5), one O(8), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. The Cr(1)-O(1) bond length is 1.86 Å. The Cr(1)-O(2) bond length is 1.98 Å. The Cr(1)-O(5) bond length is 1.96 Å. The Cr(1)-O(8) bond length is 1.98 Å. There is one shorter (1.91 Å) and one longer (1.92 Å) Cr(1)-O(3) bond length. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(4) atoms to form distorted CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. The Cr(2)-O(1) bond length is 1.97 Å. The Cr(2)-O(2) bond length is 1.87 Å. The Cr(2)-O(6) bond length is 1.96 Å. The Cr(2)-O(7) bond length is 1.99 Å. There is one shorter (1.91 Å) and one longer (1.92 Å) Cr(2)-O(4) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Cr(2) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ti(2) and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom.