Li7Mn2(CoO4)3 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(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with four equivalent O(3)Li4Mn2 octahedra, and edges with five equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with four equivalent O(4)Li3Co3 octahedra, and edges with five equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, and edges with eight equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with eight equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Li7Mn2(CoO4)3 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(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. The Li(1)-O(3) bond length is 2.19 Å. The Li(1)-O(4) bond length is 2.13 Å. There is one shorter (2.06 Å) and one longer (2.17 Å) Li(1)-O(1) bond length. There is one shorter (2.18 Å) and one longer (2.21 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. The Li(2)-O(3) bond length is 2.06 Å. The Li(2)-O(4) bond length is 2.10 Å. Both Li(2)-O(1) bond lengths are 2.20 Å. Both Li(2)-O(2) bond lengths are 2.13 Å. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. Both Li(3)-O(3) bond lengths are 2.11 Å. All Li(3)-O(1) bond lengths are 2.12 Å. Mn(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Both Mn(1)-O(3) bond lengths are 1.95 Å. There are two shorter (1.95 Å) and two longer (1.96 Å) Mn(1)-O(1) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Co(1)-O(4) bond lengths are 2.02 Å. All Co(1)-O(2) bond lengths are 2.00 Å. In the second Co site, Co(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Both Co(2)-O(4) bond lengths are 2.04 Å. There are two shorter (1.99 Å) and two longer (2.07 Å) Co(2)-O(2) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, edges with four equivalent O(3)Li4Mn2 octahedra, and edges with five equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with four equivalent O(4)Li3Co3 octahedra, and edges with five equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Co3 octahedra, and edges with eight equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra, corners with two equivalent O(2)Li3Co3 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Co3 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with eight equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.