Li4Mn3Co2Sb3O16 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 Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. 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 to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. 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(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. 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 Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)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 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  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(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 Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. 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 Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. 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 Co(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. 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(2), one Co(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Co(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(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Sb(1) atoms to form distorted OLiMnSb2 trigonal pyramids that share corners with four equivalent O(6)LiMnCoSb tetrahedra,  a cornercorner with one O(8)LiMn2Co trigonal pyramid, and edges with two equivalent O(11)LiMnCoSb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Sb(2) atom to form distorted OLiMn2Sb tetrahedra that share corners with two equivalent O(12)LiMn2Co tetrahedra, corners with two equivalent O(11)LiMnCoSb trigonal pyramids, and  an edgeedge with one O(8)LiMn2Co trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Co(1), and one Sb(1) atom to form distorted OLiMnCoSb tetrahedra that share  a cornercorner with one O(6)LiMnCoSb tetrahedra,  a cornercorner with one O(8)LiMn2Co trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids, corners with three equivalent O(11)LiMnCoSb trigonal pyramids, and  an edgeedge with one O(6)LiMnCoSb tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(2), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Mn(2), and one Co(1) atom to form distorted OLiMn2Co trigonal pyramids that share corners with two equivalent O(12)LiMn2Co tetrahedra, corners with two equivalent O(6)LiMnCoSb 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 rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), 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(2), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Mn(1), one Co(2), and one Sb(1) atom to form distorted OLiMnCoSb trigonal pyramids that share  a cornercorner with one O(12)LiMn2Co tetrahedra,  a cornercorner with one O(5)LiMn2Sb tetrahedra, corners with three equivalent O(6)LiMnCoSb tetrahedra,  a cornercorner with one O(11)LiMnCoSb trigonal pyramid,  an edgeedge with one O(11)LiMnCoSb 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), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co tetrahedra that share corners with two equivalent O(5)LiMn2Sb tetrahedra, corners with two equivalent O(8)LiMn2Co trigonal pyramids, and corners with two equivalent O(11)LiMnCoSb trigonal pyramids.
Li4Mn3Co2Sb3O16 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 Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. The Li(1)-O(12) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.17 Å. Both Li(1)-O(9) bond lengths are 2.01 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 1.77 Å. The Li(2)-O(7) bond length is 2.08 Å. Both Li(2)-O(11) bond lengths are 1.95 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-68°. The Li(3)-O(4) bond length is 1.81 Å. The Li(3)-O(8) bond length is 1.92 Å. Both Li(3)-O(1) bond lengths are 1.96 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(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The Li(4)-O(10) bond length is 1.99 Å. The Li(4)-O(2) bond length is 2.12 Å. Both Li(4)-O(6) bond lengths are 2.03 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 Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)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(1)-O(3) bond length is 2.24 Å. The Mn(1)-O(4) bond length is 2.19 Å. Both Mn(1)-O(11) bond lengths are 2.08 Å. Both Mn(1)-O(6) bond lengths are 2.04 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  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Mn(2)-O(1) bond length is 2.14 Å. The Mn(2)-O(10) bond length is 2.12 Å. The Mn(2)-O(12) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 2.08 Å. The Mn(2)-O(8) bond length is 1.99 Å. The Mn(2)-O(9) bond length is 2.10 Å. There are two inequivalent Co sites. In the first Co site, Co(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 Co(1)-O(2) bond length is 2.44 Å. The Co(1)-O(8) bond length is 2.09 Å. Both Co(1)-O(1) bond lengths are 2.07 Å. Both Co(1)-O(6) bond lengths are 2.37 Å. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Co(2)-O(12) bond length is 2.14 Å. The Co(2)-O(7) bond length is 2.36 Å. Both Co(2)-O(11) bond lengths are 2.19 Å. Both Co(2)-O(9) bond lengths are 2.16 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 Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Sb(1)-O(11) bond length is 2.00 Å. The Sb(1)-O(2) bond length is 2.04 Å. The Sb(1)-O(3) bond length is 2.04 Å. The Sb(1)-O(4) bond length is 2.03 Å. The Sb(1)-O(6) bond length is 1.98 Å. The Sb(1)-O(7) bond length is 2.05 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 Co(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Sb(2)-O(10) bond length is 2.02 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 2.03 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(2), one Co(1), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Co(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(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Sb(1) atoms to form distorted OLiMnSb2 trigonal pyramids that share corners with four equivalent O(6)LiMnCoSb tetrahedra,  a cornercorner with one O(8)LiMn2Co trigonal pyramid, and edges with two equivalent O(11)LiMnCoSb trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Sb(2) atom to form distorted OLiMn2Sb tetrahedra that share corners with two equivalent O(12)LiMn2Co tetrahedra, corners with two equivalent O(11)LiMnCoSb trigonal pyramids, and  an edgeedge with one O(8)LiMn2Co trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Co(1), and one Sb(1) atom to form distorted OLiMnCoSb tetrahedra that share  a cornercorner with one O(6)LiMnCoSb tetrahedra,  a cornercorner with one O(8)LiMn2Co trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids, corners with three equivalent O(11)LiMnCoSb trigonal pyramids, and  an edgeedge with one O(6)LiMnCoSb tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(2), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Mn(2), and one Co(1) atom to form distorted OLiMn2Co trigonal pyramids that share corners with two equivalent O(12)LiMn2Co tetrahedra, corners with two equivalent O(6)LiMnCoSb 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 rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), 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(2), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Mn(1), one Co(2), and one Sb(1) atom to form distorted OLiMnCoSb trigonal pyramids that share  a cornercorner with one O(12)LiMn2Co tetrahedra,  a cornercorner with one O(5)LiMn2Sb tetrahedra, corners with three equivalent O(6)LiMnCoSb tetrahedra,  a cornercorner with one O(11)LiMnCoSb trigonal pyramid,  an edgeedge with one O(11)LiMnCoSb 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), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co tetrahedra that share corners with two equivalent O(5)LiMn2Sb tetrahedra, corners with two equivalent O(8)LiMn2Co trigonal pyramids, and corners with two equivalent O(11)LiMnCoSb trigonal pyramids.