Li2Cu(PO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 square pyramid. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids 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(3), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O5 square pyramids 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 distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one P(1) and one P(2) atom.
Li2Cu(PO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 square pyramid. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(5) bond length is 2.01 Å. There is one shorter (2.04 Å) and one longer (2.47 Å) Li(1)-O(2) bond length. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Cu(1)-O(1) bond lengths are 1.95 Å. Both Cu(1)-O(4) bond lengths are 1.94 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids and corners with two equivalent P(2)O4 tetrahedra. The P(1)-O(3) bond length is 1.63 Å. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.48 Å. The P(1)-O(6) bond length is 1.59 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Li(1)O5 square pyramids and corners with two equivalent P(1)O4 tetrahedra. The P(2)-O(1) bond length is 1.52 Å. The P(2)-O(2) bond length is 1.49 Å. The P(2)-O(3) bond length is 1.62 Å. The P(2)-O(6) bond length is 1.59 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one P(1) and one P(2) atom.