TiV4FeO12 crystallizes in the monoclinic C2 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-62°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one V(2) atom.
TiV4FeO12 crystallizes in the monoclinic C2 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Both Ti(1)-O(1) bond lengths are 2.03 Å. Both Ti(1)-O(3) bond lengths are 2.09 Å. Both Ti(1)-O(6) bond lengths are 1.86 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-59°. The V(1)-O(1) bond length is 1.78 Å. The V(1)-O(2) bond length is 1.69 Å. The V(1)-O(4) bond length is 1.76 Å. The V(1)-O(5) bond length is 1.75 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-62°. The V(2)-O(3) bond length is 1.78 Å. The V(2)-O(4) bond length is 1.85 Å. The V(2)-O(5) bond length is 1.84 Å. The V(2)-O(6) bond length is 1.79 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. Both Fe(1)-O(1) bond lengths are 2.18 Å. Both Fe(1)-O(2) bond lengths are 2.07 Å. Both Fe(1)-O(3) bond lengths are 2.11 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one V(2) atom.