LiWP2O8 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(7) atom. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form WO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. 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(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one W(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one W(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one W(1) and one P(2) atom.
LiWP2O8 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(7) atom. The Li(1)-O(3) bond length is 1.81 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(7) bond length is 1.76 Å. W(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form WO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The W(1)-O(1) bond length is 1.98 Å. The W(1)-O(2) bond length is 1.95 Å. The W(1)-O(4) bond length is 2.03 Å. The W(1)-O(5) bond length is 2.06 Å. The W(1)-O(6) bond length is 2.00 Å. The W(1)-O(8) bond length is 2.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-42°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.49 Å. The P(1)-O(4) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(6) bond length is 1.58 Å. The P(2)-O(7) bond length is 1.48 Å. The P(2)-O(8) bond length is 1.57 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(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one W(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one W(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one W(1) and one P(2) atom.