MgTiV4FeO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. 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,  a cornercorner with one Mg(1)O4 tetrahedra, and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. 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 3-coordinate geometry to one V(1), one V(2), and one Fe(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one V(2), and one Fe(1) atom to form a mixture of corner and edge-sharing OMgTiVFe tetrahedra. 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 trigonal planar geometry to one Mg(1), 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.
MgTiV4FeO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one Ti(1)O6 octahedra. Both Mg(1)-O(3) bond lengths are 2.02 Å. Both Mg(1)-O(5) bond lengths are 2.03 Å. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. Both Ti(1)-O(1) bond lengths are 2.05 Å. Both Ti(1)-O(3) bond lengths are 2.16 Å. Both Ti(1)-O(6) bond lengths are 1.81 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,  a cornercorner with one Mg(1)O4 tetrahedra, and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. The V(1)-O(1) bond length is 1.75 Å. The V(1)-O(2) bond length is 1.74 Å. The V(1)-O(4) bond length is 1.71 Å. The V(1)-O(5) bond length is 1.82 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-62°. The V(2)-O(2) bond length is 2.19 Å. The V(2)-O(3) bond length is 1.96 Å. The V(2)-O(4) bond length is 2.02 Å. The V(2)-O(5) bond length is 2.01 Å. The V(2)-O(6) bond length is 1.88 Å. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Fe(1)-O(1) bond lengths are 2.13 Å. Both Fe(1)-O(2) bond lengths are 2.18 Å. Both Fe(1)-O(3) bond lengths are 2.13 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 3-coordinate geometry to one V(1), one V(2), and one Fe(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one V(2), and one Fe(1) atom to form a mixture of corner and edge-sharing OMgTiVFe tetrahedra. 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 trigonal planar geometry to one Mg(1), 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.