MgTi2Zn2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn tetrahedra.
MgTi2Zn2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Mg(1)-O(1) bond lengths are 2.11 Å. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are three shorter (2.00 Å) and three longer (2.12 Å) Ti(1)-O(1) bond lengths. Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. All Zn(1)-O(1) bond lengths are 1.99 Å. O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn tetrahedra.