Li9Fe3(WO4)7 crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(4), one O(8), and two equivalent O(3) atoms to form WO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the second W site, W(2) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form distorted WO6 octahedra that share edges with two equivalent W(2)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. In the third W site, W(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. Fe(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent W(1)O4 tetrahedra and edges with two equivalent W(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Li(1), one W(3), two equivalent W(2), and one Fe(1) atom to form distorted OLi2FeW3 octahedra that share  an edgeedge with one O(7)Li3W3 octahedra and edges with two equivalent O(5)Li2FeW3 octahedra. In the second O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one W(1), and one Fe(1) atom. In the fourth O site, O(7) is bonded to three equivalent Li(2) and three equivalent W(2) atoms to form distorted edge-sharing OLi3W3 octahedra. In the fifth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Li(2) and one W(1) atom. In the sixth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one W(2) atom. In the seventh O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one W(3), and one Fe(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one W(1) atom.
Li9Fe3(WO4)7 crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(1) bond length is 2.28 Å. The Li(1)-O(2) bond length is 2.21 Å. The Li(1)-O(3) bond length is 2.03 Å. The Li(1)-O(4) bond length is 2.03 Å. The Li(1)-O(5) bond length is 2.54 Å. The Li(1)-O(6) bond length is 2.11 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(6), and two equivalent O(8) atoms. The Li(2)-O(1) bond length is 2.11 Å. The Li(2)-O(7) bond length is 2.58 Å. Both Li(2)-O(6) bond lengths are 2.29 Å. Both Li(2)-O(8) bond lengths are 2.00 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(4), one O(8), and two equivalent O(3) atoms to form WO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. The W(1)-O(4) bond length is 1.80 Å. The W(1)-O(8) bond length is 1.80 Å. Both W(1)-O(3) bond lengths are 1.83 Å. In the second W site, W(2) is bonded to one O(1), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form distorted WO6 octahedra that share edges with two equivalent W(2)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The W(2)-O(1) bond length is 1.81 Å. The W(2)-O(7) bond length is 2.18 Å. Both W(2)-O(5) bond lengths are 2.17 Å. Both W(2)-O(6) bond lengths are 1.85 Å. In the third W site, W(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(5) atoms. All W(3)-O(2) bond lengths are 1.89 Å. All W(3)-O(5) bond lengths are 2.27 Å. Fe(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent W(1)O4 tetrahedra and edges with two equivalent W(2)O6 octahedra. The Fe(1)-O(2) bond length is 2.05 Å. The Fe(1)-O(5) bond length is 2.46 Å. Both Fe(1)-O(3) bond lengths are 2.07 Å. Both Fe(1)-O(6) bond lengths are 2.19 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded to two equivalent Li(1), one W(3), two equivalent W(2), and one Fe(1) atom to form distorted OLi2FeW3 octahedra that share  an edgeedge with one O(7)Li3W3 octahedra and edges with two equivalent O(5)Li2FeW3 octahedra. In the second O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one W(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one W(1), and one Fe(1) atom. In the fourth O site, O(7) is bonded to three equivalent Li(2) and three equivalent W(2) atoms to form distorted edge-sharing OLi3W3 octahedra. In the fifth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Li(2) and one W(1) atom. In the sixth O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one W(2) atom. In the seventh O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one W(3), and one Fe(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one W(1) atom.