MgTi2ZnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-52°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids.
MgTi2ZnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. All Mg(1)-O(1) bond lengths are 2.19 Å. All Mg(1)-O(2) bond lengths are 2.06 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ti(1)-O(1) bond lengths are 2.12 Å. All Ti(1)-O(2) bond lengths are 1.88 Å. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 44-52°. All Ti(2)-O(1) bond lengths are 1.89 Å. All Ti(2)-O(2) bond lengths are 2.11 Å. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. All Zn(1)-O(1) bond lengths are 2.05 Å. All Zn(1)-O(2) bond lengths are 2.26 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids.