Li4Mn3Ni2Sb3O16 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 Ni(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. 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, corners with three equivalent Ni(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, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. 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 Ni(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,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(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 corner-sharing octahedral tilt angles range from 53-55°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 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 52-54°. 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 Ni(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,  an edgeedge with one Ni(1)O6 octahedra, 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 52-53°. 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 corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. 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 Ni(1), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 trigonal pyramids that share corners with two equivalent O(6)LiMnNiSb tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids, and edges with two equivalent O(6)LiMnNiSb tetrahedra. 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)LiMnNiSb tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid, and corners with two equivalent O(2)LiNiSb2 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 a mixture of distorted corner and edge-sharing OLiMn2Sb tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Ni(1), and one Sb(1) atom to form distorted OLiMnNiSb tetrahedra that share  a cornercorner with one O(6)LiMnNiSb tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid,  a cornercorner with one O(2)LiNiSb2 trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids,  an edgeedge with one O(6)LiMnNiSb tetrahedra, and  an edgeedge with one O(2)LiNiSb2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ni(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 Ni(1) atom to form distorted OLiMn2Ni trigonal pyramids that share corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with two equivalent O(6)LiMnNiSb tetrahedra,  a cornercorner with one O(4)LiMnSb2 trigonal pyramid,  a cornercorner with one O(2)LiNiSb2 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 Ni(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 in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Ni(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Ni(2) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(5)LiMn2Sb tetrahedra and corners with two equivalent O(8)LiMn2Ni trigonal pyramids.
Li4Mn3Ni2Sb3O16 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 Ni(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. The Li(1)-O(12) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.16 Å. Both Li(1)-O(9) bond lengths are 2.00 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 1.76 Å. The Li(2)-O(7) bond length is 2.07 Å. Both Li(2)-O(11) bond lengths are 1.94 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, corners with three equivalent Ni(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 1.80 Å. The Li(3)-O(8) bond length is 1.91 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, corners with three equivalent Ni(1)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. The Li(4)-O(10) bond length is 1.99 Å. The Li(4)-O(2) bond length is 2.11 Å. Both Li(4)-O(6) bond lengths are 2.01 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 Ni(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,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. The Mn(1)-O(3) bond length is 2.21 Å. The Mn(1)-O(4) bond length is 2.16 Å. Both Mn(1)-O(11) bond lengths are 2.10 Å. Both Mn(1)-O(6) bond lengths are 2.07 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(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 corner-sharing octahedral tilt angles range from 53-55°. The Mn(2)-O(1) bond length is 2.13 Å. The Mn(2)-O(10) bond length is 2.09 Å. The Mn(2)-O(12) bond length is 1.95 Å. The Mn(2)-O(5) bond length is 2.06 Å. The Mn(2)-O(8) bond length is 1.98 Å. The Mn(2)-O(9) bond length is 2.10 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. The Ni(1)-O(2) bond length is 2.32 Å. The Ni(1)-O(8) bond length is 2.11 Å. Both Ni(1)-O(1) bond lengths are 2.10 Å. Both Ni(1)-O(6) bond lengths are 2.25 Å. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 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 52-54°. The Ni(2)-O(12) bond length is 2.11 Å. The Ni(2)-O(7) bond length is 2.35 Å. Both Ni(2)-O(11) bond lengths are 2.17 Å. Both Ni(2)-O(9) bond lengths are 2.12 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 Ni(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,  an edgeedge with one Ni(1)O6 octahedra, 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 52-53°. 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 corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The Sb(2)-O(10) bond length is 2.02 Å. The Sb(2)-O(5) bond length is 2.01 Å. Both Sb(2)-O(1) bond lengths are 2.03 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(2), one Ni(1), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 trigonal pyramids that share corners with two equivalent O(6)LiMnNiSb tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids, and edges with two equivalent O(6)LiMnNiSb tetrahedra. 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)LiMnNiSb tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid, and corners with two equivalent O(2)LiNiSb2 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 a mixture of distorted corner and edge-sharing OLiMn2Sb tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Ni(1), and one Sb(1) atom to form distorted OLiMnNiSb tetrahedra that share  a cornercorner with one O(6)LiMnNiSb tetrahedra,  a cornercorner with one O(8)LiMn2Ni trigonal pyramid,  a cornercorner with one O(2)LiNiSb2 trigonal pyramid, corners with two equivalent O(4)LiMnSb2 trigonal pyramids,  an edgeedge with one O(6)LiMnNiSb tetrahedra, and  an edgeedge with one O(2)LiNiSb2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ni(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 Ni(1) atom to form distorted OLiMn2Ni trigonal pyramids that share corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with two equivalent O(6)LiMnNiSb tetrahedra,  a cornercorner with one O(4)LiMnSb2 trigonal pyramid,  a cornercorner with one O(2)LiNiSb2 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 Ni(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 in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Ni(2), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Ni(2) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(5)LiMn2Sb tetrahedra and corners with two equivalent O(8)LiMn2Ni trigonal pyramids.