MgTi2Zn2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ti(1)O5 square pyramids and faces with two equivalent Ti(1)O5 square pyramids. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO5 square pyramids that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 square pyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMgTiZn2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom.
MgTi2Zn2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ti(1)O5 square pyramids and faces with two equivalent Ti(1)O5 square pyramids. Both Mg(1)-O(1) bond lengths are 2.19 Å. Both Mg(1)-O(2) bond lengths are 2.21 Å. Both Mg(1)-O(3) bond lengths are 1.98 Å. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO5 square pyramids that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 square pyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. The Ti(1)-O(1) bond length is 1.97 Å. There is one shorter (1.98 Å) and one longer (2.03 Å) Ti(1)-O(2) bond length. There is one shorter (1.93 Å) and one longer (2.25 Å) Ti(1)-O(3) bond length. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Zn(1)-O(2) bond length is 2.11 Å. The Zn(1)-O(3) bond length is 1.99 Å. There is one shorter (1.96 Å) and one longer (2.07 Å) Zn(1)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMgTiZn2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom.