MgTi2(CoO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(2), and one Co(3) atom to form OMgTi2Co2 square pyramids that share  a cornercorner with one O(4)TiCo3 tetrahedra,  a cornercorner with one O(7)MgTi2Co2 trigonal bipyramid, corners with four equivalent O(8)MgTi2Co2 trigonal bipyramids, edges with two equivalent O(3)MgTi2Co2 square pyramids, edges with two equivalent O(2)MgTiCo3 square pyramids,  an edgeedge with one O(4)TiCo3 tetrahedra, and  an edgeedge with one O(7)MgTi2Co2 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Co(2), one Co(3), and one Co(4) atom to form distorted OMgTiCo3 square pyramids that share  a cornercorner with one O(4)TiCo3 tetrahedra,  a cornercorner with one O(7)MgTi2Co2 trigonal bipyramid,  a cornercorner with one O(8)MgTi2Co2 trigonal bipyramid, edges with two equivalent O(1)MgTi2Co2 square pyramids, edges with two equivalent O(3)MgTi2Co2 square pyramids,  an edgeedge with one O(4)TiCo3 tetrahedra,  an edgeedge with one O(7)MgTi2Co2 trigonal bipyramid, and  an edgeedge with one O(8)MgTi2Co2 trigonal bipyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(2), and one Co(4) atom to form OMgTi2Co2 square pyramids that share  a cornercorner with one O(4)TiCo3 tetrahedra,  a cornercorner with one O(8)MgTi2Co2 trigonal bipyramid, corners with four equivalent O(7)MgTi2Co2 trigonal bipyramids, edges with two equivalent O(1)MgTi2Co2 square pyramids, edges with two equivalent O(2)MgTiCo3 square pyramids,  an edgeedge with one O(4)TiCo3 tetrahedra, and  an edgeedge with one O(8)MgTi2Co2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Ti(2), one Co(2), one Co(3), and one Co(4) atom to form OTiCo3 tetrahedra that share  a cornercorner with one O(1)MgTi2Co2 square pyramid,  a cornercorner with one O(3)MgTi2Co2 square pyramid,  a cornercorner with one O(2)MgTiCo3 square pyramid, corners with two equivalent O(7)MgTi2Co2 trigonal bipyramids, corners with two equivalent O(8)MgTi2Co2 trigonal bipyramids,  an edgeedge with one O(1)MgTi2Co2 square pyramid,  an edgeedge with one O(3)MgTi2Co2 square pyramid, and  an edgeedge with one O(2)MgTiCo3 square pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Co(1), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Co(1), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(1), and one Co(4) atom to form distorted OMgTi2Co2 trigonal bipyramids that share  a cornercorner with one O(1)MgTi2Co2 square pyramid,  a cornercorner with one O(2)MgTiCo3 square pyramid, corners with four equivalent O(3)MgTi2Co2 square pyramids, corners with two equivalent O(4)TiCo3 tetrahedra,  an edgeedge with one O(1)MgTi2Co2 square pyramid,  an edgeedge with one O(2)MgTiCo3 square pyramid, and edges with two equivalent O(8)MgTi2Co2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(1), and one Co(3) atom to form distorted OMgTi2Co2 trigonal bipyramids that share  a cornercorner with one O(3)MgTi2Co2 square pyramid,  a cornercorner with one O(2)MgTiCo3 square pyramid, corners with four equivalent O(1)MgTi2Co2 square pyramids, corners with two equivalent O(4)TiCo3 tetrahedra,  an edgeedge with one O(3)MgTi2Co2 square pyramid,  an edgeedge with one O(2)MgTiCo3 square pyramid, and edges with two equivalent O(7)MgTi2Co2 trigonal bipyramids.
MgTi2(CoO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. The Mg(1)-O(1) bond length is 2.11 Å. The Mg(1)-O(2) bond length is 2.20 Å. The Mg(1)-O(3) bond length is 2.12 Å. The Mg(1)-O(6) bond length is 2.49 Å. The Mg(1)-O(7) bond length is 2.11 Å. The Mg(1)-O(8) bond length is 2.11 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Ti(1)-O(1) bond length is 2.00 Å. The Ti(1)-O(2) bond length is 1.99 Å. The Ti(1)-O(3) bond length is 2.01 Å. The Ti(1)-O(6) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 2.52 Å. The Ti(1)-O(8) bond length is 2.53 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Ti(2)-O(1) bond length is 2.23 Å. The Ti(2)-O(3) bond length is 2.21 Å. The Ti(2)-O(4) bond length is 1.89 Å. The Ti(2)-O(5) bond length is 1.95 Å. The Ti(2)-O(7) bond length is 1.93 Å. The Ti(2)-O(8) bond length is 1.92 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. The Co(1)-O(5) bond length is 1.88 Å. The Co(1)-O(6) bond length is 2.10 Å. The Co(1)-O(7) bond length is 2.08 Å. The Co(1)-O(8) bond length is 2.07 Å. In the second Co site, Co(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Co(2)-O(1) bond length is 2.19 Å. The Co(2)-O(2) bond length is 2.20 Å. The Co(2)-O(3) bond length is 2.17 Å. The Co(2)-O(4) bond length is 1.87 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The Co(3)-O(1) bond length is 2.19 Å. The Co(3)-O(2) bond length is 2.16 Å. The Co(3)-O(4) bond length is 1.97 Å. The Co(3)-O(5) bond length is 1.99 Å. The Co(3)-O(6) bond length is 2.15 Å. The Co(3)-O(8) bond length is 2.22 Å. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Co(4)-O(2) bond length is 2.17 Å. The Co(4)-O(3) bond length is 2.19 Å. The Co(4)-O(4) bond length is 1.97 Å. The Co(4)-O(5) bond length is 1.99 Å. The Co(4)-O(6) bond length is 2.16 Å. The Co(4)-O(7) bond length is 2.21 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(2), and one Co(3) atom to form OMgTi2Co2 square pyramids that share  a cornercorner with one O(4)TiCo3 tetrahedra,  a cornercorner with one O(7)MgTi2Co2 trigonal bipyramid, corners with four equivalent O(8)MgTi2Co2 trigonal bipyramids, edges with two equivalent O(3)MgTi2Co2 square pyramids, edges with two equivalent O(2)MgTiCo3 square pyramids,  an edgeedge with one O(4)TiCo3 tetrahedra, and  an edgeedge with one O(7)MgTi2Co2 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Co(2), one Co(3), and one Co(4) atom to form distorted OMgTiCo3 square pyramids that share  a cornercorner with one O(4)TiCo3 tetrahedra,  a cornercorner with one O(7)MgTi2Co2 trigonal bipyramid,  a cornercorner with one O(8)MgTi2Co2 trigonal bipyramid, edges with two equivalent O(1)MgTi2Co2 square pyramids, edges with two equivalent O(3)MgTi2Co2 square pyramids,  an edgeedge with one O(4)TiCo3 tetrahedra,  an edgeedge with one O(7)MgTi2Co2 trigonal bipyramid, and  an edgeedge with one O(8)MgTi2Co2 trigonal bipyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(2), and one Co(4) atom to form OMgTi2Co2 square pyramids that share  a cornercorner with one O(4)TiCo3 tetrahedra,  a cornercorner with one O(8)MgTi2Co2 trigonal bipyramid, corners with four equivalent O(7)MgTi2Co2 trigonal bipyramids, edges with two equivalent O(1)MgTi2Co2 square pyramids, edges with two equivalent O(2)MgTiCo3 square pyramids,  an edgeedge with one O(4)TiCo3 tetrahedra, and  an edgeedge with one O(8)MgTi2Co2 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Ti(2), one Co(2), one Co(3), and one Co(4) atom to form OTiCo3 tetrahedra that share  a cornercorner with one O(1)MgTi2Co2 square pyramid,  a cornercorner with one O(3)MgTi2Co2 square pyramid,  a cornercorner with one O(2)MgTiCo3 square pyramid, corners with two equivalent O(7)MgTi2Co2 trigonal bipyramids, corners with two equivalent O(8)MgTi2Co2 trigonal bipyramids,  an edgeedge with one O(1)MgTi2Co2 square pyramid,  an edgeedge with one O(3)MgTi2Co2 square pyramid, and  an edgeedge with one O(2)MgTiCo3 square pyramid. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Co(1), one Co(3), and one Co(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Co(1), one Co(3), and one Co(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(1), and one Co(4) atom to form distorted OMgTi2Co2 trigonal bipyramids that share  a cornercorner with one O(1)MgTi2Co2 square pyramid,  a cornercorner with one O(2)MgTiCo3 square pyramid, corners with four equivalent O(3)MgTi2Co2 square pyramids, corners with two equivalent O(4)TiCo3 tetrahedra,  an edgeedge with one O(1)MgTi2Co2 square pyramid,  an edgeedge with one O(2)MgTiCo3 square pyramid, and edges with two equivalent O(8)MgTi2Co2 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Ti(1), one Ti(2), one Co(1), and one Co(3) atom to form distorted OMgTi2Co2 trigonal bipyramids that share  a cornercorner with one O(3)MgTi2Co2 square pyramid,  a cornercorner with one O(2)MgTiCo3 square pyramid, corners with four equivalent O(1)MgTi2Co2 square pyramids, corners with two equivalent O(4)TiCo3 tetrahedra,  an edgeedge with one O(3)MgTi2Co2 square pyramid,  an edgeedge with one O(2)MgTiCo3 square pyramid, and edges with two equivalent O(7)MgTi2Co2 trigonal bipyramids.