Li4Mn5SbO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with three equivalent Mn(2)O6 octahedra and edges with three equivalent Sb(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. Sb(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SbO6 octahedra that share edges with six equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(2) and one Sb(1) atom.
Li4Mn5SbO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. The Li(1)-O(1) bond length is 1.95 Å. The Li(1)-O(3) bond length is 2.16 Å. There is one shorter (1.97 Å) and one longer (2.00 Å) Li(1)-O(2) bond length. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted edge-sharing MnO6 octahedra. Both Mn(1)-O(3) bond lengths are 2.03 Å. There are two shorter (1.92 Å) and two longer (2.37 Å) Mn(1)-O(2) bond lengths. In the second Mn site, Mn(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with three equivalent Mn(2)O6 octahedra and edges with three equivalent Sb(1)O6 octahedra. Both Mn(2)-O(4) bond lengths are 1.99 Å. There are two shorter (1.99 Å) and two longer (2.29 Å) Mn(2)-O(1) bond lengths. In the third Mn site, Mn(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. Both Mn(3)-O(3) bond lengths are 1.98 Å. All Mn(3)-O(2) bond lengths are 2.12 Å. Sb(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SbO6 octahedra that share edges with six equivalent Mn(2)O6 octahedra. Both Sb(1)-O(4) bond lengths are 2.04 Å. All Sb(1)-O(1) bond lengths are 2.01 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OLi2Mn3 square pyramids. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Mn(2) and one Sb(1) atom.