LiCu(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(8), and two equivalent O(4) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(9) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom.
LiCu(PO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(8), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 1.95 Å. The Li(1)-O(2) bond length is 2.22 Å. The Li(1)-O(8) bond length is 1.89 Å. There is one shorter (2.06 Å) and one longer (2.59 Å) Li(1)-O(4) bond length. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(9) atom. The Cu(1)-O(2) bond length is 2.01 Å. The Cu(1)-O(3) bond length is 1.94 Å. The Cu(1)-O(4) bond length is 2.19 Å. The Cu(1)-O(9) bond length is 1.91 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.48 Å. The P(1)-O(2) bond length is 1.52 Å. The P(1)-O(5) bond length is 1.63 Å. The P(1)-O(6) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.61 Å. The P(2)-O(7) bond length is 1.58 Å. The P(2)-O(9) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(3)-O(4) bond length is 1.53 Å. The P(3)-O(6) bond length is 1.62 Å. The P(3)-O(7) bond length is 1.63 Å. The P(3)-O(8) bond length is 1.48 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom.