Li5Mn(CoO4)2 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Co2 octahedra, edges with three equivalent O(3)Li3MnCo2 octahedra, and edges with eight equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(1), and one Co(1) atom to form OLi4MnCo octahedra that share corners with six equivalent O(2)Li4MnCo octahedra, edges with four equivalent O(3)Li3MnCo2 octahedra, edges with four equivalent O(1)Li4Co2 octahedra, and edges with four equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(3)Li3MnCo2 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with eight equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
Li5Mn(CoO4)2 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.13 Å. There are two shorter (2.09 Å) and two longer (2.19 Å) Li(1)-O(2) bond lengths. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Li(2)-O(1) bond lengths are 2.18 Å. Both Li(2)-O(2) bond lengths are 2.17 Å. Both Li(2)-O(3) bond lengths are 2.06 Å. In the third Li site, Li(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Both Li(3)-O(1) bond lengths are 2.04 Å. All Li(3)-O(2) bond lengths are 2.06 Å. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Both Mn(1)-O(3) bond lengths are 1.93 Å. All Mn(1)-O(2) bond lengths are 1.95 Å. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. Both Co(1)-O(1) bond lengths are 1.94 Å. Both Co(1)-O(2) bond lengths are 1.91 Å. Both Co(1)-O(3) bond lengths are 2.10 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(1)Li4Co2 octahedra, edges with three equivalent O(3)Li3MnCo2 octahedra, and edges with eight equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(1), and one Co(1) atom to form OLi4MnCo octahedra that share corners with six equivalent O(2)Li4MnCo octahedra, edges with four equivalent O(3)Li3MnCo2 octahedra, edges with four equivalent O(1)Li4Co2 octahedra, and edges with four equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with three equivalent O(3)Li3MnCo2 octahedra, corners with three equivalent O(1)Li4Co2 octahedra,  an edgeedge with one O(3)Li3MnCo2 octahedra, edges with three equivalent O(1)Li4Co2 octahedra, and edges with eight equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-7°.