MgTi2(CoO3)2 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 Co(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Co(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. Co(1) is bonded to six equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Co(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 45-53°. O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(1), and two equivalent Co(1) atoms.
MgTi2(CoO3)2 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 Co(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. 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 Co(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are three shorter (1.93 Å) and three longer (2.15 Å) Ti(1)-O(1) bond lengths. Co(1) is bonded to six equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Co(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 45-53°. There are three shorter (2.12 Å) and three longer (2.37 Å) Co(1)-O(1) bond lengths. O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(1), and two equivalent Co(1) atoms.