MgTi4(FeO4)3 crystallizes in the orthorhombic Immm space group. Mg(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form MgO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Mg(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-36°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Fe(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Fe(1) atom.
MgTi4(FeO4)3 crystallizes in the orthorhombic Immm space group. Mg(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form MgO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. All Mg(1)-O(1) bond lengths are 2.68 Å. All Mg(1)-O(2) bond lengths are 2.58 Å. All Mg(1)-O(3) bond lengths are 2.64 Å. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Mg(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 35-36°. Both Ti(1)-O(1) bond lengths are 1.97 Å. Both Ti(1)-O(2) bond lengths are 1.97 Å. Both Ti(1)-O(3) bond lengths are 1.98 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Fe(1)-O(3) bond lengths are 2.05 Å. In the second Fe site, Fe(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. All Fe(2)-O(2) bond lengths are 2.09 Å. In the third Fe site, Fe(3) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Fe(3)-O(1) bond lengths are 2.08 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Fe(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Fe(1) atom.