Li4Mn3Ni3(WO8)2 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. 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 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. 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 Mn(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. 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 Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Mn(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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second W site, W(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form WO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 distorted MnO6 octahedra that share corners with two equivalent W(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 W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(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 50°. 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 W(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 W(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. 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 W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. 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 W(1), one Mn(2), and one Ni(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one W(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a tetrahedral geometry to one Li(3), two equivalent Mn(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Mn(2), and two equivalent Ni(2) atoms to form OLiMnNi2 tetrahedra that share corners with two equivalent O(12)LiNi2W tetrahedra and corners with four equivalent O(9)LiMnNiW trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one W(1), one Mn(1), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one W(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one W(2), one Mn(2), and one Ni(2) atom to form distorted OLiMnNiW trigonal pyramids that share  a cornercorner with one O(12)LiNi2W tetrahedra, corners with two equivalent O(5)LiMnNi2 tetrahedra,  a cornercorner with one O(9)LiMnNiW trigonal pyramid,  an edgeedge with one O(12)LiNi2W tetrahedra, and  an edgeedge with one O(9)LiMnNiW trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one W(2), one Mn(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one W(2), and two equivalent Ni(2) atoms to form distorted OLiNi2W tetrahedra that share corners with two equivalent O(5)LiMnNi2 tetrahedra, corners with two equivalent O(9)LiMnNiW trigonal pyramids, and edges with two equivalent O(9)LiMnNiW trigonal pyramids.
Li4Mn3Ni3(WO8)2 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(1)-O(12) bond length is 1.99 Å. The Li(1)-O(3) bond length is 2.02 Å. Both Li(1)-O(9) bond lengths are 2.00 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 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. The Li(2)-O(5) bond length is 1.81 Å. The Li(2)-O(7) bond length is 2.02 Å. Both Li(2)-O(11) bond lengths are 2.02 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 Mn(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. The Li(3)-O(4) bond length is 1.85 Å. The Li(3)-O(8) bond length is 2.02 Å. Both Li(3)-O(1) bond lengths are 2.01 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 Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(4)-O(10) bond length is 1.95 Å. The Li(4)-O(2) bond length is 2.02 Å. Both Li(4)-O(6) bond lengths are 1.97 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Mn(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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The W(1)-O(2) bond length is 2.19 Å. The W(1)-O(8) bond length is 1.87 Å. Both W(1)-O(1) bond lengths are 1.98 Å. Both W(1)-O(6) bond lengths are 1.94 Å. In the second W site, W(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form WO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. The W(2)-O(12) bond length is 1.91 Å. The W(2)-O(7) bond length is 2.06 Å. Both W(2)-O(11) bond lengths are 1.88 Å. Both W(2)-O(9) bond lengths are 2.07 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(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 distorted MnO6 octahedra that share corners with two equivalent W(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 W(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Mn(1)-O(11) bond length is 2.38 Å. The Mn(1)-O(2) bond length is 2.03 Å. The Mn(1)-O(3) bond length is 1.92 Å. The Mn(1)-O(4) bond length is 1.92 Å. The Mn(1)-O(6) bond length is 2.19 Å. The Mn(1)-O(7) bond length is 2.05 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(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 50°. The Mn(2)-O(10) bond length is 1.89 Å. The Mn(2)-O(5) bond length is 1.89 Å. Both Mn(2)-O(1) bond lengths are 2.08 Å. Both Mn(2)-O(9) bond lengths are 1.94 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 W(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 W(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. The Ni(1)-O(3) bond length is 2.04 Å. The Ni(1)-O(4) bond length is 2.02 Å. Both Ni(1)-O(11) bond lengths are 2.09 Å. Both Ni(1)-O(6) bond lengths are 2.09 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 W(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The Ni(2)-O(1) bond length is 2.17 Å. The Ni(2)-O(10) bond length is 1.98 Å. The Ni(2)-O(12) bond length is 2.10 Å. The Ni(2)-O(5) bond length is 1.97 Å. The Ni(2)-O(8) bond length is 2.11 Å. The Ni(2)-O(9) bond length is 2.18 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 W(1), one Mn(2), and one Ni(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one W(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a tetrahedral geometry to one Li(3), two equivalent Mn(1), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Mn(2), and two equivalent Ni(2) atoms to form OLiMnNi2 tetrahedra that share corners with two equivalent O(12)LiNi2W tetrahedra and corners with four equivalent O(9)LiMnNiW trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one W(1), one Mn(1), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one W(2), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one W(1), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one W(2), one Mn(2), and one Ni(2) atom to form distorted OLiMnNiW trigonal pyramids that share  a cornercorner with one O(12)LiNi2W tetrahedra, corners with two equivalent O(5)LiMnNi2 tetrahedra,  a cornercorner with one O(9)LiMnNiW trigonal pyramid,  an edgeedge with one O(12)LiNi2W tetrahedra, and  an edgeedge with one O(9)LiMnNiW trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one W(2), one Mn(1), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one W(2), and two equivalent Ni(2) atoms to form distorted OLiNi2W tetrahedra that share corners with two equivalent O(5)LiMnNi2 tetrahedra, corners with two equivalent O(9)LiMnNiW trigonal pyramids, and edges with two equivalent O(9)LiMnNiW trigonal pyramids.