LiVWO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with four equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent W(1) atoms.
LiVWO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with four equivalent W(1)O6 octahedra and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(2) bond length is 2.01 Å. Both Li(1)-O(3) bond lengths are 2.44 Å. Both Li(1)-O(4) bond lengths are 2.39 Å. V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and two equivalent O(5) atoms. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(2) bond length is 2.43 Å. The V(1)-O(3) bond length is 1.64 Å. The V(1)-O(6) bond length is 2.18 Å. Both V(1)-O(5) bond lengths are 1.97 Å. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form distorted WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. The W(1)-O(1) bond length is 2.28 Å. The W(1)-O(2) bond length is 1.81 Å. The W(1)-O(4) bond length is 1.77 Å. The W(1)-O(5) bond length is 2.12 Å. Both W(1)-O(6) bond lengths are 1.96 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Li(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent V(1) and one W(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent W(1) atoms.