MgTi2(FeO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are two inequivalent Ti sites. In the first Ti site, 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 edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(3) atom to form OMgTi2Fe2 trigonal bipyramids that share  a cornercorner with one O(4)MgTiFe3 square pyramid,  a cornercorner with one O(3)MgTiFe3 trigonal bipyramid, corners with four equivalent O(2)MgTi2Fe2 trigonal bipyramids, edges with three equivalent O(4)MgTiFe3 square pyramids, and edges with three equivalent O(3)MgTiFe3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OMgTiFe3 trigonal bipyramids that share  a cornercorner with one O(4)MgTiFe3 square pyramid,  a cornercorner with one O(2)MgTi2Fe2 trigonal bipyramid, corners with four equivalent O(3)MgTiFe3 trigonal bipyramids, edges with three equivalent O(4)MgTiFe3 square pyramids, and edges with three equivalent O(2)MgTi2Fe2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), one Fe(1), one Fe(2), and one Fe(3) atom to form OMgTiFe3 square pyramids that share corners with four equivalent O(4)MgTiFe3 square pyramids,  a cornercorner with one O(2)MgTi2Fe2 trigonal bipyramid,  a cornercorner with one O(3)MgTiFe3 trigonal bipyramid, edges with three equivalent O(2)MgTi2Fe2 trigonal bipyramids, and edges with three equivalent O(3)MgTiFe3 trigonal bipyramids.
MgTi2(FeO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Both Mg(1)-O(2) bond lengths are 2.08 Å. Both Mg(1)-O(3) bond lengths are 2.13 Å. Both Mg(1)-O(4) bond lengths are 2.13 Å. There are two inequivalent Ti sites. In the first Ti site, 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 edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. Both Ti(1)-O(1) bond lengths are 2.03 Å. Both Ti(1)-O(2) bond lengths are 2.14 Å. Both Ti(1)-O(3) bond lengths are 2.03 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. Both Ti(2)-O(1) bond lengths are 1.97 Å. Both Ti(2)-O(2) bond lengths are 2.13 Å. Both Ti(2)-O(4) bond lengths are 2.11 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Fe(1)-O(1) bond length is 1.90 Å. The Fe(1)-O(2) bond length is 2.08 Å. The Fe(1)-O(3) bond length is 2.20 Å. The Fe(1)-O(4) bond length is 2.20 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. Both Fe(2)-O(1) bond lengths are 2.11 Å. Both Fe(2)-O(3) bond lengths are 2.12 Å. Both Fe(2)-O(4) bond lengths are 2.22 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Both Fe(3)-O(2) bond lengths are 2.38 Å. Both Fe(3)-O(3) bond lengths are 2.44 Å. Both Fe(3)-O(4) bond lengths are 2.09 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), one Fe(1), and one Fe(3) atom to form OMgTi2Fe2 trigonal bipyramids that share  a cornercorner with one O(4)MgTiFe3 square pyramid,  a cornercorner with one O(3)MgTiFe3 trigonal bipyramid, corners with four equivalent O(2)MgTi2Fe2 trigonal bipyramids, edges with three equivalent O(4)MgTiFe3 square pyramids, and edges with three equivalent O(3)MgTiFe3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OMgTiFe3 trigonal bipyramids that share  a cornercorner with one O(4)MgTiFe3 square pyramid,  a cornercorner with one O(2)MgTi2Fe2 trigonal bipyramid, corners with four equivalent O(3)MgTiFe3 trigonal bipyramids, edges with three equivalent O(4)MgTiFe3 square pyramids, and edges with three equivalent O(2)MgTi2Fe2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), one Fe(1), one Fe(2), and one Fe(3) atom to form OMgTiFe3 square pyramids that share corners with four equivalent O(4)MgTiFe3 square pyramids,  a cornercorner with one O(2)MgTi2Fe2 trigonal bipyramid,  a cornercorner with one O(3)MgTiFe3 trigonal bipyramid, edges with three equivalent O(2)MgTi2Fe2 trigonal bipyramids, and edges with three equivalent O(3)MgTiFe3 trigonal bipyramids.