LiWP2O8 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(6) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form WO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-50°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one W(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom.
LiWP2O8 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(6) atom. The Li(1)-O(4) bond length is 1.82 Å. The Li(1)-O(6) bond length is 1.92 Å. W(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form WO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. The W(1)-O(1) bond length is 2.04 Å. The W(1)-O(2) bond length is 2.05 Å. The W(1)-O(3) bond length is 2.04 Å. The W(1)-O(5) bond length is 2.08 Å. The W(1)-O(6) bond length is 1.78 Å. The W(1)-O(7) bond length is 2.10 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-50°. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.53 Å. The P(1)-O(8) bond length is 1.60 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent W(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-47°. The P(2)-O(1) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.48 Å. The P(2)-O(8) bond length is 1.64 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one W(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom.