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 Zn(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OMgTi2Zn2 trigonal bipyramids.
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 Zn(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mg(1)-O(1) bond lengths are 2.06 Å. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are three shorter (2.01 Å) and three longer (2.18 Å) Ti(1)-O(1) bond lengths. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. There are three shorter (2.13 Å) and three longer (2.24 Å) Zn(1)-O(1) bond lengths. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OMgTi2Zn2 trigonal bipyramids.