LiBi(WO4)2 crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent W(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one Bi(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 distorted trigonal planar geometry to one Li(1), one W(1), and one Bi(1) atom.
LiBi(WO4)2 crystallizes in the monoclinic P2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Li(1)-O(2) bond lengths are 2.65 Å. Both Li(1)-O(3) bond lengths are 2.16 Å. Both Li(1)-O(4) bond lengths are 2.13 Å. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. The W(1)-O(2) bond length is 1.84 Å. The W(1)-O(4) bond length is 1.84 Å. There is one shorter (2.00 Å) and one longer (2.10 Å) W(1)-O(1) bond length. There is one shorter (1.91 Å) and one longer (2.17 Å) W(1)-O(3) bond length. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-59°. Both Bi(1)-O(1) bond lengths are 2.37 Å. Both Bi(1)-O(2) bond lengths are 2.34 Å. Both Bi(1)-O(4) bond lengths are 2.36 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent W(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one Bi(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 distorted trigonal planar geometry to one Li(1), one W(1), and one Bi(1) atom.