MgTl2(CoO3)2 is Orthorhombic Perovskite-derived structured and 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 and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. 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, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. Tl(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Tl(1) atoms.
MgTl2(CoO3)2 is Orthorhombic Perovskite-derived structured and 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 and faces with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Mg(1)-O(1) bond lengths are 2.13 Å. 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, edges with three equivalent Co(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three shorter (2.04 Å) and three longer (2.15 Å) Co(1)-O(1) bond lengths. Tl(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three shorter (2.25 Å) and three longer (2.66 Å) Tl(1)-O(1) bond lengths. O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Co(1), and two equivalent Tl(1) atoms.