Li4Mn2Ni3Sb3O16 is Hausmannite-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 Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. 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 Sb(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. 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 Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-72°. 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 Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Mn site, Mn(2) 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 Ni(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Mn(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 Mn(1)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. In the second Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent Mn(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 Mn(2)O6 octahedra, edges with two equivalent Ni(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 51-54°. 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 Mn(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 Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-54°. 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 corners with two equivalent Mn(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 Mn(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 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 Mn(1), one Ni(2), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), and two equivalent Sb(1) atoms to form distorted OLiMnSb2 tetrahedra that share corners with two equivalent O(6)LiMnNiSb tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra,  a cornercorner with one O(10)LiNi2Sb trigonal pyramid, 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 Ni(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 tetrahedra that share corners with two equivalent O(2)LiMnSb2 tetrahedra and corners with four equivalent O(6)LiMnNiSb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ni(2), and one Sb(2) atom to form distorted OLiNi2Sb tetrahedra that share corners with two equivalent O(12)LiMnNi2 tetrahedra and corners with three equivalent O(10)LiNi2Sb trigonal pyramids. 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(2)LiMnSb2 tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra,  a cornercorner with one O(10)LiNi2Sb trigonal pyramid,  an edgeedge with one O(6)LiMnNiSb tetrahedra, and  an edgeedge with one O(2)LiMnSb2 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), and two equivalent Ni(2) atoms. 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 to one Li(4), two equivalent Ni(2), and one Sb(2) atom to form distorted OLiNi2Sb trigonal pyramids that share  a cornercorner with one O(2)LiMnSb2 tetrahedra, corners with two equivalent O(6)LiMnNiSb tetrahedra, corners with three equivalent O(5)LiNi2Sb tetrahedra, and  an edgeedge with one O(12)LiMnNi2 tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Ni(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(2), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OLiMnNi2 tetrahedra.
Li4Mn2Ni3Sb3O16 is Hausmannite-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 Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. The Li(1)-O(12) bond length is 1.94 Å. The Li(1)-O(3) bond length is 2.07 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 Sb(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-71°. The Li(2)-O(5) bond length is 1.77 Å. The Li(2)-O(7) bond length is 2.13 Å. Both Li(2)-O(11) bond lengths are 1.98 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 Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-72°. The Li(3)-O(4) bond length is 1.85 Å. The Li(3)-O(8) bond length is 1.92 Å. Both Li(3)-O(1) bond lengths are 2.02 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 Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Li(4)-O(10) bond length is 1.97 Å. The Li(4)-O(2) bond length is 2.13 Å. Both Li(4)-O(6) bond lengths are 2.00 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted MnO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. The Mn(1)-O(2) bond length is 2.20 Å. The Mn(1)-O(8) bond length is 1.87 Å. Both Mn(1)-O(1) bond lengths are 2.08 Å. Both Mn(1)-O(6) bond lengths are 2.29 Å. In the second Mn site, Mn(2) 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 Ni(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. The Mn(2)-O(12) bond length is 1.96 Å. The Mn(2)-O(7) bond length is 2.44 Å. Both Mn(2)-O(11) bond lengths are 2.06 Å. Both Mn(2)-O(9) bond lengths are 1.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Mn(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 Mn(1)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. The Ni(1)-O(3) bond length is 2.06 Å. The Ni(1)-O(4) bond length is 2.03 Å. Both Ni(1)-O(11) bond lengths are 2.17 Å. Both Ni(1)-O(6) bond lengths are 2.08 Å. In the second Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent Mn(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 Mn(2)O6 octahedra, edges with two equivalent Ni(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 51-54°. The Ni(2)-O(1) bond length is 2.14 Å. The Ni(2)-O(10) bond length is 2.02 Å. The Ni(2)-O(12) bond length is 2.04 Å. The Ni(2)-O(5) bond length is 2.00 Å. The Ni(2)-O(8) bond length is 2.09 Å. The Ni(2)-O(9) bond length is 2.19 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(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 Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-54°. The Sb(1)-O(11) bond length is 2.01 Å. The Sb(1)-O(2) bond length is 2.08 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 1.96 Å. The Sb(1)-O(7) bond length is 2.04 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 Mn(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 Mn(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Sb(2)-O(10) bond length is 1.99 Å. The Sb(2)-O(5) bond length is 1.99 Å. Both Sb(2)-O(1) bond lengths are 2.01 Å. Both Sb(2)-O(9) bond lengths are 2.07 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 Mn(1), one Ni(2), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), and two equivalent Sb(1) atoms to form distorted OLiMnSb2 tetrahedra that share corners with two equivalent O(6)LiMnNiSb tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra,  a cornercorner with one O(10)LiNi2Sb trigonal pyramid, 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 Ni(1), and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), and two equivalent Sb(1) atoms to form distorted OLiNiSb2 tetrahedra that share corners with two equivalent O(2)LiMnSb2 tetrahedra and corners with four equivalent O(6)LiMnNiSb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ni(2), and one Sb(2) atom to form distorted OLiNi2Sb tetrahedra that share corners with two equivalent O(12)LiMnNi2 tetrahedra and corners with three equivalent O(10)LiNi2Sb trigonal pyramids. 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(2)LiMnSb2 tetrahedra, corners with two equivalent O(4)LiNiSb2 tetrahedra,  a cornercorner with one O(10)LiNi2Sb trigonal pyramid,  an edgeedge with one O(6)LiMnNiSb tetrahedra, and  an edgeedge with one O(2)LiMnSb2 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Sb(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), and two equivalent Ni(2) atoms. 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 to one Li(4), two equivalent Ni(2), and one Sb(2) atom to form distorted OLiNi2Sb trigonal pyramids that share  a cornercorner with one O(2)LiMnSb2 tetrahedra, corners with two equivalent O(6)LiMnNiSb tetrahedra, corners with three equivalent O(5)LiNi2Sb tetrahedra, and  an edgeedge with one O(12)LiMnNi2 tetrahedra. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(2), one Ni(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(2), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OLiMnNi2 tetrahedra.