LiCu(PO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. Cu(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form CuO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom.
LiCu(PO3)2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(6) atom. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(6) bond length is 1.95 Å. Cu(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form CuO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The Cu(1)-O(2) bond length is 2.12 Å. The Cu(1)-O(3) bond length is 2.12 Å. The Cu(1)-O(5) bond length is 2.20 Å. The Cu(1)-O(6) bond length is 2.10 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. The P(1)-O(1) bond length is 1.63 Å. The P(1)-O(3) bond length is 1.49 Å. The P(1)-O(4) bond length is 1.63 Å. The P(1)-O(6) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cu(1)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. The P(2)-O(1) bond length is 1.62 Å. The P(2)-O(2) bond length is 1.51 Å. The P(2)-O(4) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.51 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom.