LiCu2(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(14), and one O(15) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to one O(13), one O(14), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(2), and one O(3) atom. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), and one O(9) atom to form corner-sharing PO4 tetrahedra. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) 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 bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom.
LiCu2(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(14), and one O(15) atom. The Li(1)-O(1) bond length is 1.86 Å. The Li(1)-O(11) bond length is 2.17 Å. The Li(1)-O(14) bond length is 2.04 Å. The Li(1)-O(15) bond length is 1.88 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to one O(13), one O(14), one O(5), and one O(6) atom. The Cu(1)-O(13) bond length is 1.95 Å. The Cu(1)-O(14) bond length is 2.03 Å. The Cu(1)-O(5) bond length is 1.94 Å. The Cu(1)-O(6) bond length is 2.04 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(2), and one O(3) atom. The Cu(2)-O(1) bond length is 2.61 Å. The Cu(2)-O(10) bond length is 2.13 Å. The Cu(2)-O(11) bond length is 2.00 Å. The Cu(2)-O(2) bond length is 1.96 Å. The Cu(2)-O(3) bond length is 1.96 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.49 Å. The P(1)-O(2) bond length is 1.50 Å. The P(1)-O(4) bond length is 1.61 Å. The P(1)-O(7) bond length is 1.63 Å. In the second P site, P(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(3) bond length is 1.52 Å. The P(2)-O(4) bond length is 1.60 Å. The P(2)-O(6) bond length is 1.50 Å. The P(2)-O(8) bond length is 1.59 Å. In the third P site, P(3) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form corner-sharing PO4 tetrahedra. The P(3)-O(11) bond length is 1.52 Å. The P(3)-O(5) bond length is 1.51 Å. The P(3)-O(7) bond length is 1.60 Å. The P(3)-O(9) bond length is 1.61 Å. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(4)-O(10) bond length is 1.49 Å. The P(4)-O(12) bond length is 1.60 Å. The P(4)-O(13) bond length is 1.53 Å. The P(4)-O(8) bond length is 1.60 Å. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(15), and one O(9) atom to form corner-sharing PO4 tetrahedra. The P(5)-O(12) bond length is 1.61 Å. The P(5)-O(14) bond length is 1.51 Å. The P(5)-O(15) bond length is 1.49 Å. The P(5)-O(9) bond length is 1.63 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(2) 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 bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom.