Li3(WO3)8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(7) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. In the third W site, W(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 24-32°. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one W(1), and one W(3) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(2) atoms. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(3) atoms. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent W(3) atoms. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one W(3) atom. In the eighth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one W(2), and one W(3) atom.
Li3(WO3)8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. Both Li(1)-O(5) bond lengths are 2.10 Å. Both Li(1)-O(6) bond lengths are 2.13 Å. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(7) atoms. All Li(2)-O(7) bond lengths are 2.11 Å. There are three inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 27-32°. Both W(1)-O(1) bond lengths are 1.91 Å. Both W(1)-O(5) bond lengths are 1.93 Å. Both W(1)-O(7) bond lengths are 1.92 Å. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. Both W(2)-O(2) bond lengths are 1.91 Å. Both W(2)-O(6) bond lengths are 1.94 Å. Both W(2)-O(8) bond lengths are 1.91 Å. In the third W site, W(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 24-32°. The W(3)-O(3) bond length is 1.91 Å. The W(3)-O(4) bond length is 1.91 Å. The W(3)-O(5) bond length is 1.96 Å. The W(3)-O(6) bond length is 1.91 Å. The W(3)-O(7) bond length is 1.96 Å. The W(3)-O(8) bond length is 1.88 Å. There are eight inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one W(1), and one W(3) atom. In the second O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(2) atoms. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(3) atoms. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent W(3) atoms. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one W(3) atom. In the eighth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one W(2), and one W(3) atom.