LiLu(WO4)2 crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LuO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Lu(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Lu(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Lu(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Lu(1) and two equivalent W(1) atoms.
LiLu(WO4)2 crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Li(1)-O(2) bond lengths are 2.17 Å. Both Li(1)-O(3) bond lengths are 2.03 Å. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LuO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. Both Lu(1)-O(1) bond lengths are 2.19 Å. Both Lu(1)-O(2) bond lengths are 2.25 Å. Both Lu(1)-O(4) bond lengths are 2.22 Å. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Lu(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. The W(1)-O(1) bond length is 1.83 Å. The W(1)-O(2) bond length is 1.83 Å. There is one shorter (1.91 Å) and one longer (2.19 Å) W(1)-O(3) bond length. There is one shorter (2.00 Å) and one longer (2.13 Å) W(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Lu(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Lu(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Lu(1) and two equivalent W(1) atoms.