TiCo3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms.
TiCo3O8 is Rutile-derived structured and crystallizes in the hexagonal P6_3mc space group. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ti(1)-O(1) bond lengths are 1.91 Å. All Ti(1)-O(2) bond lengths are 2.06 Å. Co(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Co(1)-O(3) bond length is 1.89 Å. The Co(1)-O(4) bond length is 1.90 Å. Both Co(1)-O(1) bond lengths are 1.89 Å. Both Co(1)-O(2) bond lengths are 1.86 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms.