TiCrO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. In the second O site, O(2) 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 tetragonal I-4m2 space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. Both Ti(1)-O(1) bond lengths are 2.06 Å. All Ti(1)-O(2) bond lengths are 1.93 Å. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. Both Cr(1)-O(2) bond lengths are 1.98 Å. All Cr(1)-O(1) bond lengths are 1.91 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Cr(1) atom.