LiWCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom.
LiWCPO7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(7) atom. The Li(1)-O(1) bond length is 2.52 Å. The Li(1)-O(2) bond length is 2.43 Å. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(5) bond length is 2.41 Å. The Li(1)-O(7) bond length is 1.93 Å. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. The W(1)-O(1) bond length is 2.05 Å. The W(1)-O(2) bond length is 2.04 Å. The W(1)-O(3) bond length is 2.14 Å. The W(1)-O(4) bond length is 2.03 Å. The W(1)-O(5) bond length is 2.14 Å. The W(1)-O(6) bond length is 2.08 Å. C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(7) atom. The C(1)-O(2) bond length is 1.36 Å. The C(1)-O(3) bond length is 1.34 Å. The C(1)-O(7) bond length is 1.23 Å. P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.56 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one W(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one W(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one W(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Li(1) and one C(1) atom.