Li2W(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with six equivalent W(1)O2F4 octahedra and edges with two equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. W(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted WO2F4 octahedra that share corners with six equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(2) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom.
Li2W(OF2)2 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent F(2) and four equivalent F(1) atoms. Both Li(1)-F(2) bond lengths are 2.33 Å. There are two shorter (1.96 Å) and two longer (2.09 Å) Li(1)-F(1) bond lengths. In the second Li site, Li(2) is bonded to four equivalent O(1) and two equivalent F(2) atoms to form LiO4F2 octahedra that share corners with six equivalent W(1)O2F4 octahedra and edges with two equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. All Li(2)-O(1) bond lengths are 2.17 Å. Both Li(2)-F(2) bond lengths are 2.09 Å. W(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted WO2F4 octahedra that share corners with six equivalent Li(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. Both W(1)-O(1) bond lengths are 1.78 Å. Both W(1)-F(1) bond lengths are 2.08 Å. Both W(1)-F(2) bond lengths are 1.96 Å. O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(2) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one W(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom.