Li11Fe(WO4)7 crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(2), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(15), one O(7), and one O(9) atom. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(8), and one O(9) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(1), one O(11), two equivalent O(15), and two equivalent O(17) atoms. There are five inequivalent W sites. In the first W site, W(1) is bonded to one O(15), one O(16), one O(3), and one O(4) atom to form WO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), two equivalent O(6), and two equivalent O(7) atoms. In the third W site, W(3) is bonded to one O(12), one O(2), two equivalent O(6), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. In the fourth W site, W(4) is bonded in a tetrahedral geometry to one O(13), one O(14), and two equivalent O(5) atoms. In the fifth W site, W(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(17), one O(6), and one O(9) atom. Fe(1) is bonded to one O(12), one O(2), two equivalent O(16), and two equivalent O(17) atoms to form distorted FeO6 octahedra that share corners with two equivalent W(3)O6 octahedra and corners with two equivalent W(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-16°. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Li(6), two equivalent Li(1), and one W(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one W(3), and one Fe(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one W(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one W(4) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one W(2), one W(3), and one W(5) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), and one W(2) atom to form distorted corner-sharing OLi3W tetrahedra. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Li(5), and one W(3) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one W(5) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Li(5), and one W(5) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Li(6), two equivalent Li(4), one W(2), and two equivalent W(5) atoms. In the twelfth O site, O(12) is bonded in an octahedral geometry to two equivalent Li(5), one W(3), two equivalent W(5), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to two equivalent Li(4) and one W(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to two equivalent Li(5) and one W(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one W(1) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(5), one W(1), and one Fe(1) atom. In the seventeenth O site, O(17) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(6), one W(5), and one Fe(1) atom.
Li11Fe(WO4)7 crystallizes in the monoclinic Cm space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(2), one O(3), one O(4), and one O(6) atom. The Li(1)-O(1) bond length is 2.23 Å. The Li(1)-O(17) bond length is 2.07 Å. The Li(1)-O(2) bond length is 2.34 Å. The Li(1)-O(3) bond length is 1.91 Å. The Li(1)-O(4) bond length is 1.98 Å. The Li(1)-O(6) bond length is 2.41 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Li(2)-O(3) bond length is 1.92 Å. The Li(2)-O(5) bond length is 1.93 Å. The Li(2)-O(6) bond length is 2.60 Å. The Li(2)-O(7) bond length is 2.29 Å. The Li(2)-O(8) bond length is 2.00 Å. The Li(2)-O(9) bond length is 2.25 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Li(3)-O(10) bond length is 2.18 Å. The Li(3)-O(4) bond length is 1.94 Å. The Li(3)-O(5) bond length is 1.93 Å. The Li(3)-O(6) bond length is 2.58 Å. The Li(3)-O(7) bond length is 2.00 Å. The Li(3)-O(8) bond length is 2.35 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(15), one O(7), and one O(9) atom. The Li(4)-O(10) bond length is 2.02 Å. The Li(4)-O(11) bond length is 2.60 Å. The Li(4)-O(13) bond length is 1.92 Å. The Li(4)-O(15) bond length is 1.94 Å. The Li(4)-O(7) bond length is 2.16 Å. The Li(4)-O(9) bond length is 2.35 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(8), and one O(9) atom. The Li(5)-O(10) bond length is 2.30 Å. The Li(5)-O(12) bond length is 2.48 Å. The Li(5)-O(14) bond length is 1.93 Å. The Li(5)-O(16) bond length is 1.98 Å. The Li(5)-O(8) bond length is 2.17 Å. The Li(5)-O(9) bond length is 2.01 Å. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(1), one O(11), two equivalent O(15), and two equivalent O(17) atoms. The Li(6)-O(1) bond length is 2.00 Å. The Li(6)-O(11) bond length is 2.44 Å. Both Li(6)-O(15) bond lengths are 1.96 Å. Both Li(6)-O(17) bond lengths are 2.31 Å. There are five inequivalent W sites. In the first W site, W(1) is bonded to one O(15), one O(16), one O(3), and one O(4) atom to form WO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. The W(1)-O(15) bond length is 1.77 Å. The W(1)-O(16) bond length is 1.83 Å. The W(1)-O(3) bond length is 1.77 Å. The W(1)-O(4) bond length is 1.77 Å. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), two equivalent O(6), and two equivalent O(7) atoms. The W(2)-O(1) bond length is 1.79 Å. The W(2)-O(11) bond length is 2.12 Å. Both W(2)-O(6) bond lengths are 2.20 Å. Both W(2)-O(7) bond lengths are 1.79 Å. In the third W site, W(3) is bonded to one O(12), one O(2), two equivalent O(6), and two equivalent O(8) atoms to form distorted WO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-16°. The W(3)-O(12) bond length is 2.12 Å. The W(3)-O(2) bond length is 1.85 Å. Both W(3)-O(6) bond lengths are 2.16 Å. Both W(3)-O(8) bond lengths are 1.77 Å. In the fourth W site, W(4) is bonded in a tetrahedral geometry to one O(13), one O(14), and two equivalent O(5) atoms. The W(4)-O(13) bond length is 1.78 Å. The W(4)-O(14) bond length is 1.79 Å. Both W(4)-O(5) bond lengths are 1.78 Å. In the fifth W site, W(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(17), one O(6), and one O(9) atom. The W(5)-O(10) bond length is 1.78 Å. The W(5)-O(11) bond length is 2.15 Å. The W(5)-O(12) bond length is 2.24 Å. The W(5)-O(17) bond length is 1.85 Å. The W(5)-O(6) bond length is 2.05 Å. The W(5)-O(9) bond length is 1.77 Å. Fe(1) is bonded to one O(12), one O(2), two equivalent O(16), and two equivalent O(17) atoms to form distorted FeO6 octahedra that share corners with two equivalent W(3)O6 octahedra and corners with two equivalent W(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-16°. The Fe(1)-O(12) bond length is 2.32 Å. The Fe(1)-O(2) bond length is 1.96 Å. Both Fe(1)-O(16) bond lengths are 1.94 Å. Both Fe(1)-O(17) bond lengths are 2.02 Å. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Li(6), two equivalent Li(1), and one W(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one W(3), and one Fe(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one W(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one W(4) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one W(2), one W(3), and one W(5) atom. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), and one W(2) atom to form distorted corner-sharing OLi3W tetrahedra. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one Li(5), and one W(3) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Li(5), and one W(5) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(3), one Li(4), one Li(5), and one W(5) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Li(6), two equivalent Li(4), one W(2), and two equivalent W(5) atoms. In the twelfth O site, O(12) is bonded in an octahedral geometry to two equivalent Li(5), one W(3), two equivalent W(5), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to two equivalent Li(4) and one W(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to two equivalent Li(5) and one W(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one W(1) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(5), one W(1), and one Fe(1) atom. In the seventeenth O site, O(17) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(6), one W(5), and one Fe(1) atom.