MgTi2(FeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. In the second Fe site, Fe(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(1) atom.
MgTi2(FeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Fe(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. The Mg(1)-O(1) bond length is 2.22 Å. The Mg(1)-O(2) bond length is 2.26 Å. The Mg(1)-O(3) bond length is 2.23 Å. The Mg(1)-O(4) bond length is 2.05 Å. The Mg(1)-O(5) bond length is 2.04 Å. The Mg(1)-O(6) bond length is 2.04 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. The Ti(1)-O(1) bond length is 2.10 Å. The Ti(1)-O(2) bond length is 2.12 Å. The Ti(1)-O(3) bond length is 2.10 Å. The Ti(1)-O(4) bond length is 2.04 Å. The Ti(1)-O(5) bond length is 2.01 Å. The Ti(1)-O(6) bond length is 2.02 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. The Ti(2)-O(1) bond length is 2.11 Å. The Ti(2)-O(2) bond length is 2.12 Å. The Ti(2)-O(3) bond length is 2.10 Å. The Ti(2)-O(4) bond length is 2.03 Å. The Ti(2)-O(5) bond length is 2.02 Å. The Ti(2)-O(6) bond length is 2.03 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted FeO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. The Fe(1)-O(1) bond length is 2.34 Å. The Fe(1)-O(2) bond length is 2.27 Å. The Fe(1)-O(3) bond length is 2.36 Å. The Fe(1)-O(4) bond length is 2.04 Å. The Fe(1)-O(5) bond length is 2.12 Å. The Fe(1)-O(6) bond length is 2.11 Å. In the second Fe site, Fe(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The Fe(2)-O(1) bond length is 1.99 Å. The Fe(2)-O(2) bond length is 1.99 Å. The Fe(2)-O(3) bond length is 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(1) atom.