Li7Fe3(WO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(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 LiO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Li site, Li(2) 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 Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the third Li site, Li(3) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-67°. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fifth Li site, Li(5) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the sixth Li site, Li(6) 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 Li(5)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. 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 Li(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. 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 distorted WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. 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(4), one Li(5), one W(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(1), and one W(1) atom to form distorted OLi3W tetrahedra that share corners with two equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(10)Li2Fe2 trigonal pyramid, and  an edgeedge with one O(3)Li3Fe tetrahedra. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one Fe(1) atom to form distorted OLi3Fe tetrahedra that share corners with two equivalent O(9)Li2FeW tetrahedra, corners with three equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(12)LiFe2W trigonal pyramid, and  an edgeedge with one O(2)Li3W tetrahedra. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(2)Li3W tetrahedra and corners with three equivalent O(3)Li3Fe tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), and two equivalent Fe(2) atoms to form OLi2Fe2 tetrahedra that share corners with four equivalent O(9)Li2FeW tetrahedra, corners with two equivalent O(12)LiFe2W trigonal pyramids, and corners with three equivalent O(10)Li2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(6), one W(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one W(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one W(2), and one Fe(2) atom to form distorted OLi2FeW tetrahedra that share  a cornercorner with one O(9)Li2FeW tetrahedra,  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra,  a cornercorner with one O(12)LiFe2W trigonal pyramid,  an edgeedge with one O(9)Li2FeW tetrahedra,  an edgeedge with one O(10)Li2Fe2 trigonal pyramid, and  an edgeedge with one O(12)LiFe2W trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), and two equivalent Fe(2) atoms to form OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Li3W tetrahedra, corners with three equivalent O(5)Li2Fe2 tetrahedra, edges with two equivalent O(9)Li2FeW tetrahedra, and  an edgeedge with one O(12)LiFe2W trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one W(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one W(2), and two equivalent Fe(2) atoms to form distorted OLiFe2W trigonal pyramids that share  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(9)Li2FeW tetrahedra, edges with two equivalent O(9)Li2FeW tetrahedra, and  an edgeedge with one O(10)Li2Fe2 trigonal pyramid.
Li7Fe3(WO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(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 LiO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Li(1)-O(11) bond length is 2.14 Å. The Li(1)-O(2) bond length is 2.13 Å. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(4) bond length is 1.98 Å. The Li(1)-O(6) bond length is 2.25 Å. The Li(1)-O(7) bond length is 2.19 Å. In the second Li site, Li(2) 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 Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. The Li(2)-O(12) bond length is 2.04 Å. The Li(2)-O(3) bond length is 2.02 Å. Both Li(2)-O(9) bond lengths are 1.98 Å. In the third Li site, Li(3) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent W(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-67°. The Li(3)-O(5) bond length is 1.88 Å. The Li(3)-O(7) bond length is 1.93 Å. Both Li(3)-O(11) bond lengths are 1.98 Å. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(4)-O(4) bond length is 1.83 Å. The Li(4)-O(8) bond length is 2.02 Å. Both Li(4)-O(1) bond lengths are 2.02 Å. In the fifth Li site, Li(5) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. The Li(5)-O(10) bond length is 2.04 Å. The Li(5)-O(5) bond length is 2.03 Å. Both Li(5)-O(1) bond lengths are 2.11 Å. Both Li(5)-O(9) bond lengths are 2.14 Å. In the sixth Li site, Li(6) 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 Li(5)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. The Li(6)-O(10) bond length is 2.05 Å. The Li(6)-O(2) bond length is 1.92 Å. Both Li(6)-O(6) bond lengths are 1.94 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 Li(5)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The W(1)-O(2) bond length is 1.84 Å. The W(1)-O(8) bond length is 2.23 Å. Both W(1)-O(1) bond lengths are 1.91 Å. Both W(1)-O(6) bond lengths are 2.00 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 distorted WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The W(2)-O(12) bond length is 2.16 Å. The W(2)-O(7) bond length is 1.82 Å. Both W(2)-O(11) bond lengths are 1.90 Å. Both W(2)-O(9) bond lengths are 2.03 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent W(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one W(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The Fe(1)-O(3) bond length is 1.80 Å. The Fe(1)-O(4) bond length is 1.78 Å. Both Fe(1)-O(11) bond lengths are 2.13 Å. Both Fe(1)-O(6) bond lengths are 2.02 Å. In the second Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent W(1)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one W(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. The Fe(2)-O(1) bond length is 2.12 Å. The Fe(2)-O(10) bond length is 1.89 Å. The Fe(2)-O(12) bond length is 2.05 Å. The Fe(2)-O(5) bond length is 1.89 Å. The Fe(2)-O(8) bond length is 2.03 Å. The Fe(2)-O(9) bond length is 1.95 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(4), one Li(5), one W(1), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(6), two equivalent Li(1), and one W(1) atom to form distorted OLi3W tetrahedra that share corners with two equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(10)Li2Fe2 trigonal pyramid, and  an edgeedge with one O(3)Li3Fe tetrahedra. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and one Fe(1) atom to form distorted OLi3Fe tetrahedra that share corners with two equivalent O(9)Li2FeW tetrahedra, corners with three equivalent O(4)Li3Fe tetrahedra,  a cornercorner with one O(12)LiFe2W trigonal pyramid, and  an edgeedge with one O(2)Li3W tetrahedra. In the fourth O site, O(4) is bonded to one Li(4), two equivalent Li(1), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(2)Li3W tetrahedra and corners with three equivalent O(3)Li3Fe tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), and two equivalent Fe(2) atoms to form OLi2Fe2 tetrahedra that share corners with four equivalent O(9)Li2FeW tetrahedra, corners with two equivalent O(12)LiFe2W trigonal pyramids, and corners with three equivalent O(10)Li2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(6), one W(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Li(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one W(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one W(2), and one Fe(2) atom to form distorted OLi2FeW tetrahedra that share  a cornercorner with one O(9)Li2FeW tetrahedra,  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra,  a cornercorner with one O(12)LiFe2W trigonal pyramid,  an edgeedge with one O(9)Li2FeW tetrahedra,  an edgeedge with one O(10)Li2Fe2 trigonal pyramid, and  an edgeedge with one O(12)LiFe2W trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), and two equivalent Fe(2) atoms to form OLi2Fe2 trigonal pyramids that share  a cornercorner with one O(2)Li3W tetrahedra, corners with three equivalent O(5)Li2Fe2 tetrahedra, edges with two equivalent O(9)Li2FeW tetrahedra, and  an edgeedge with one O(12)LiFe2W trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one W(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(2), one W(2), and two equivalent Fe(2) atoms to form distorted OLiFe2W trigonal pyramids that share  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(5)Li2Fe2 tetrahedra, corners with two equivalent O(9)Li2FeW tetrahedra, edges with two equivalent O(9)Li2FeW tetrahedra, and  an edgeedge with one O(10)Li2Fe2 trigonal pyramid.