LiP(WO4)2 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(4) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent W(2)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the second W site, W(2) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-17°. P(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one W(2)O6 octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-43°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent W(2) atoms.
LiP(WO4)2 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(4) atoms. The Li(1)-O(5) bond length is 2.07 Å. Both Li(1)-O(4) bond lengths are 2.08 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with three equivalent W(2)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 5-17°. The W(1)-O(1) bond length is 1.85 Å. The W(1)-O(3) bond length is 2.11 Å. Both W(1)-O(2) bond lengths are 2.09 Å. Both W(1)-O(4) bond lengths are 1.94 Å. In the second W site, W(2) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with three equivalent W(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-17°. The W(2)-O(1) bond length is 1.98 Å. The W(2)-O(5) bond length is 2.14 Å. Both W(2)-O(4) bond lengths are 1.98 Å. Both W(2)-O(6) bond lengths are 1.93 Å. P(1) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one W(2)O6 octahedra and corners with three equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-43°. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.55 Å. Both P(1)-O(2) bond lengths are 1.53 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one W(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one W(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent W(2) atoms.