MgTi4(FeO4)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(11), one O(3), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-72°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 37°. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one O(9) atom. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(12), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 37°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(4), one O(5), one O(6), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(7) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Ti(4), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Fe(2), and one Fe(3) atom to form edge-sharing OTi2Fe2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Ti(2), one Ti(3), one Fe(1), and one Fe(3) atom to form distorted edge-sharing OTi2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), one Ti(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(4), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(4), one Fe(1), and one Fe(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(3), one Ti(4), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(4), one Fe(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(4), and one Fe(1) atom.
MgTi4(FeO4)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(11), one O(3), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-72°. The Mg(1)-O(10) bond length is 2.05 Å. The Mg(1)-O(11) bond length is 2.00 Å. The Mg(1)-O(3) bond length is 2.00 Å. The Mg(1)-O(6) bond length is 2.01 Å. The Mg(1)-O(9) bond length is 2.03 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 37°. The Ti(1)-O(11) bond length is 1.81 Å. The Ti(1)-O(12) bond length is 2.13 Å. The Ti(1)-O(2) bond length is 2.23 Å. The Ti(1)-O(3) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 2.16 Å. The Ti(1)-O(8) bond length is 1.88 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Ti(2)-O(2) bond length is 1.91 Å. The Ti(2)-O(3) bond length is 2.12 Å. The Ti(2)-O(5) bond length is 2.01 Å. The Ti(2)-O(6) bond length is 1.98 Å. The Ti(2)-O(7) bond length is 1.78 Å. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one O(9) atom. The Ti(3)-O(1) bond length is 1.89 Å. The Ti(3)-O(4) bond length is 1.80 Å. The Ti(3)-O(5) bond length is 2.03 Å. The Ti(3)-O(6) bond length is 1.99 Å. The Ti(3)-O(9) bond length is 2.10 Å. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(12), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 37°. The Ti(4)-O(1) bond length is 2.34 Å. The Ti(4)-O(10) bond length is 1.88 Å. The Ti(4)-O(12) bond length is 1.88 Å. The Ti(4)-O(7) bond length is 2.07 Å. The Ti(4)-O(8) bond length is 2.06 Å. The Ti(4)-O(9) bond length is 1.90 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(4), one O(5), one O(6), and one O(8) atom. The Fe(1)-O(10) bond length is 2.27 Å. The Fe(1)-O(12) bond length is 2.04 Å. The Fe(1)-O(4) bond length is 2.51 Å. The Fe(1)-O(5) bond length is 2.17 Å. The Fe(1)-O(6) bond length is 2.72 Å. The Fe(1)-O(8) bond length is 2.06 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(7) atom. The Fe(2)-O(1) bond length is 2.05 Å. The Fe(2)-O(10) bond length is 2.11 Å. The Fe(2)-O(11) bond length is 2.11 Å. The Fe(2)-O(2) bond length is 2.05 Å. The Fe(2)-O(4) bond length is 2.29 Å. The Fe(2)-O(7) bond length is 2.28 Å. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(8), and one O(9) atom. The Fe(3)-O(1) bond length is 2.12 Å. The Fe(3)-O(2) bond length is 2.16 Å. The Fe(3)-O(3) bond length is 2.20 Å. The Fe(3)-O(5) bond length is 2.34 Å. The Fe(3)-O(8) bond length is 2.59 Å. The Fe(3)-O(9) bond length is 2.17 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Ti(4), one Fe(2), and one Fe(3) atom. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Fe(2), and one Fe(3) atom to form edge-sharing OTi2Fe2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Ti(2), one Ti(3), one Fe(1), and one Fe(3) atom to form distorted edge-sharing OTi2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), one Ti(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(4), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(4), one Fe(1), and one Fe(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(3), one Ti(4), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(4), one Fe(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(4), and one Fe(1) atom.