Li4Ti3Mn3(SbO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted SbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Mn(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Mn(1) atom to form corner-sharing OLiTi2Mn tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Mn(2) atoms to form OLiTiMn2 tetrahedra that share corners with two equivalent O(12)LiMn2Sb tetrahedra and corners with four equivalent O(9)LiTiMnSb trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Mn(1), and one Sb(1) atom to form distorted OLiTiMnSb tetrahedra that share  a cornercorner with one O(6)LiTiMnSb tetrahedra, corners with two equivalent O(4)LiTi2Mn tetrahedra, and  an edgeedge with one O(6)LiTiMnSb tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(2), and one Sb(2) atom to form distorted OLiTiMnSb trigonal pyramids that share  a cornercorner with one O(12)LiMn2Sb tetrahedra, corners with two equivalent O(5)LiTiMn2 tetrahedra,  a cornercorner with one O(9)LiTiMnSb trigonal pyramid,  an edgeedge with one O(12)LiMn2Sb tetrahedra, and  an edgeedge with one O(9)LiTiMnSb trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Sb(2) atom to form distorted OLiMn2Sb tetrahedra that share corners with two equivalent O(5)LiTiMn2 tetrahedra, corners with two equivalent O(9)LiTiMnSb trigonal pyramids, and edges with two equivalent O(9)LiTiMnSb trigonal pyramids.
Li4Ti3Mn3(SbO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. The Li(1)-O(12) bond length is 2.00 Å. The Li(1)-O(3) bond length is 2.00 Å. Both Li(1)-O(9) bond lengths are 2.04 Å. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-66°. The Li(2)-O(5) bond length is 1.83 Å. The Li(2)-O(7) bond length is 2.08 Å. Both Li(2)-O(11) bond lengths are 2.01 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.89 Å. The Li(3)-O(8) bond length is 2.02 Å. Both Li(3)-O(1) bond lengths are 2.04 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. The Li(4)-O(10) bond length is 2.13 Å. The Li(4)-O(2) bond length is 2.11 Å. Both Li(4)-O(6) bond lengths are 2.00 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-51°. The Ti(1)-O(11) bond length is 2.17 Å. The Ti(1)-O(2) bond length is 2.00 Å. The Ti(1)-O(3) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 1.95 Å. The Ti(1)-O(6) bond length is 1.88 Å. The Ti(1)-O(7) bond length is 2.11 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. The Ti(2)-O(10) bond length is 1.97 Å. The Ti(2)-O(5) bond length is 2.01 Å. Both Ti(2)-O(1) bond lengths are 1.98 Å. Both Ti(2)-O(9) bond lengths are 2.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. The Mn(1)-O(3) bond length is 2.16 Å. The Mn(1)-O(4) bond length is 2.10 Å. Both Mn(1)-O(11) bond lengths are 2.14 Å. Both Mn(1)-O(6) bond lengths are 2.21 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Mn(2)-O(1) bond length is 2.21 Å. The Mn(2)-O(10) bond length is 2.03 Å. The Mn(2)-O(12) bond length is 2.06 Å. The Mn(2)-O(5) bond length is 1.97 Å. The Mn(2)-O(8) bond length is 2.07 Å. The Mn(2)-O(9) bond length is 2.30 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted SbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Sb(1)-O(2) bond length is 2.31 Å. The Sb(1)-O(8) bond length is 2.04 Å. Both Sb(1)-O(1) bond lengths are 2.10 Å. Both Sb(1)-O(6) bond lengths are 2.23 Å. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Sb(2)-O(12) bond length is 2.06 Å. The Sb(2)-O(7) bond length is 2.10 Å. Both Sb(2)-O(11) bond lengths are 2.00 Å. Both Sb(2)-O(9) bond lengths are 2.05 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Mn(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Ti(1), and one Mn(1) atom to form corner-sharing OLiTi2Mn tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ti(2), and two equivalent Mn(2) atoms to form OLiTiMn2 tetrahedra that share corners with two equivalent O(12)LiMn2Sb tetrahedra and corners with four equivalent O(9)LiTiMnSb trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Ti(1), one Mn(1), and one Sb(1) atom to form distorted OLiTiMnSb tetrahedra that share  a cornercorner with one O(6)LiTiMnSb tetrahedra, corners with two equivalent O(4)LiTi2Mn tetrahedra, and  an edgeedge with one O(6)LiTiMnSb tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Ti(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Ti(2), one Mn(2), and one Sb(2) atom to form distorted OLiTiMnSb trigonal pyramids that share  a cornercorner with one O(12)LiMn2Sb tetrahedra, corners with two equivalent O(5)LiTiMn2 tetrahedra,  a cornercorner with one O(9)LiTiMnSb trigonal pyramid,  an edgeedge with one O(12)LiMn2Sb tetrahedra, and  an edgeedge with one O(9)LiTiMnSb trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Mn(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Sb(2) atom to form distorted OLiMn2Sb tetrahedra that share corners with two equivalent O(5)LiTiMn2 tetrahedra, corners with two equivalent O(9)LiTiMnSb trigonal pyramids, and edges with two equivalent O(9)LiTiMnSb trigonal pyramids.