Li4Mn5Sb3O16 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(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. 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 Sb(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Mn site, Mn(2) 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 Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Mn site, Mn(3) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Mn site, Mn(4) 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  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(4), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(2), and two equivalent Sb(1) atoms to form distorted OLiMnSb2 trigonal pyramids that share corners with four equivalent O(6)LiMn2Sb tetrahedra,  a cornercorner with one O(8)LiMn3 trigonal pyramid, and edges with two equivalent O(11)LiMn2Sb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(4), and one Sb(2) atom to form distorted OLiMn2Sb tetrahedra that share corners with two equivalent O(12)LiMn3 tetrahedra, corners with two equivalent O(11)LiMn2Sb trigonal pyramids, and  an edgeedge with one O(8)LiMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Mn(2), and one Sb(1) atom to form distorted OLiMn2Sb tetrahedra that share  a cornercorner with one O(6)LiMn2Sb tetrahedra,  a cornercorner with one O(8)LiMn3 trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids, corners with three equivalent O(11)LiMn2Sb trigonal pyramids, and  an edgeedge with one O(6)LiMn2Sb tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), one Mn(1), and two equivalent Mn(4) atoms to form distorted OLiMn3 trigonal pyramids that share corners with two equivalent O(6)LiMn2Sb tetrahedra, corners with two equivalent O(12)LiMn3 tetrahedra,  a cornercorner with one O(4)LiMnSb2 trigonal pyramid, and  an edgeedge with one O(5)LiMn2Sb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Mn(4), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Mn(2), one Mn(3), and one Sb(1) atom to form distorted OLiMn2Sb trigonal pyramids that share  a cornercorner with one O(5)LiMn2Sb tetrahedra,  a cornercorner with one O(12)LiMn3 tetrahedra, corners with three equivalent O(6)LiMn2Sb tetrahedra,  a cornercorner with one O(11)LiMn2Sb trigonal pyramid,  an edgeedge with one O(11)LiMn2Sb trigonal pyramid, and  an edgeedge with one O(4)LiMnSb2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form OLiMn3 tetrahedra that share corners with two equivalent O(5)LiMn2Sb tetrahedra, corners with two equivalent O(11)LiMn2Sb trigonal pyramids, and corners with two equivalent O(8)LiMn3 trigonal pyramids.
Li4Mn5Sb3O16 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(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(3) bond length is 2.23 Å. Both Li(1)-O(9) bond lengths are 2.02 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.75 Å. The Li(2)-O(7) bond length is 2.07 Å. Both Li(2)-O(11) bond lengths are 1.97 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 1.83 Å. The Li(3)-O(8) bond length is 1.91 Å. Both Li(3)-O(1) bond lengths are 1.95 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 Sb(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Li(4)-O(10) bond length is 1.98 Å. The Li(4)-O(2) bond length is 2.13 Å. Both Li(4)-O(6) bond lengths are 2.05 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. The Mn(1)-O(2) bond length is 2.52 Å. The Mn(1)-O(8) bond length is 2.11 Å. Both Mn(1)-O(1) bond lengths are 2.14 Å. Both Mn(1)-O(6) bond lengths are 2.38 Å. In the second Mn site, Mn(2) 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 Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Mn(2)-O(3) bond length is 2.26 Å. The Mn(2)-O(4) bond length is 2.20 Å. Both Mn(2)-O(11) bond lengths are 2.07 Å. Both Mn(2)-O(6) bond lengths are 2.05 Å. In the third Mn site, Mn(3) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Mn(3)-O(12) bond length is 2.20 Å. The Mn(3)-O(7) bond length is 2.37 Å. Both Mn(3)-O(11) bond lengths are 2.21 Å. Both Mn(3)-O(9) bond lengths are 2.25 Å. In the fourth Mn site, Mn(4) 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  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The Mn(4)-O(1) bond length is 2.10 Å. The Mn(4)-O(10) bond length is 2.15 Å. The Mn(4)-O(12) bond length is 1.96 Å. The Mn(4)-O(5) bond length is 2.11 Å. The Mn(4)-O(8) bond length is 1.99 Å. The Mn(4)-O(9) bond length is 2.09 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. The Sb(1)-O(11) bond length is 2.00 Å. The Sb(1)-O(2) bond length is 2.05 Å. The Sb(1)-O(3) bond length is 2.05 Å. The Sb(1)-O(4) bond length is 2.04 Å. The Sb(1)-O(6) bond length is 1.98 Å. The Sb(1)-O(7) bond length is 2.06 Å. In the second Sb site, Sb(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. The Sb(2)-O(10) bond length is 2.01 Å. The Sb(2)-O(5) bond length is 2.00 Å. Both Sb(2)-O(1) bond lengths are 2.04 Å. Both Sb(2)-O(9) bond lengths are 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(4), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(2), and two equivalent Sb(1) atoms to form distorted OLiMnSb2 trigonal pyramids that share corners with four equivalent O(6)LiMn2Sb tetrahedra,  a cornercorner with one O(8)LiMn3 trigonal pyramid, and edges with two equivalent O(11)LiMn2Sb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(4), and one Sb(2) atom to form distorted OLiMn2Sb tetrahedra that share corners with two equivalent O(12)LiMn3 tetrahedra, corners with two equivalent O(11)LiMn2Sb trigonal pyramids, and  an edgeedge with one O(8)LiMn3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Mn(2), and one Sb(1) atom to form distorted OLiMn2Sb tetrahedra that share  a cornercorner with one O(6)LiMn2Sb tetrahedra,  a cornercorner with one O(8)LiMn3 trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids, corners with three equivalent O(11)LiMn2Sb trigonal pyramids, and  an edgeedge with one O(6)LiMn2Sb tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(3), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), one Mn(1), and two equivalent Mn(4) atoms to form distorted OLiMn3 trigonal pyramids that share corners with two equivalent O(6)LiMn2Sb tetrahedra, corners with two equivalent O(12)LiMn3 tetrahedra,  a cornercorner with one O(4)LiMnSb2 trigonal pyramid, and  an edgeedge with one O(5)LiMn2Sb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Mn(4), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Mn(2), one Mn(3), and one Sb(1) atom to form distorted OLiMn2Sb trigonal pyramids that share  a cornercorner with one O(5)LiMn2Sb tetrahedra,  a cornercorner with one O(12)LiMn3 tetrahedra, corners with three equivalent O(6)LiMn2Sb tetrahedra,  a cornercorner with one O(11)LiMn2Sb trigonal pyramid,  an edgeedge with one O(11)LiMn2Sb trigonal pyramid, and  an edgeedge with one O(4)LiMnSb2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form OLiMn3 tetrahedra that share corners with two equivalent O(5)LiMn2Sb tetrahedra, corners with two equivalent O(11)LiMn2Sb trigonal pyramids, and corners with two equivalent O(8)LiMn3 trigonal pyramids.