LiPbP3O9 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(9) atoms. There are three 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 PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 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 PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Pb(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1), one Pb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom.
LiPbP3O9 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(4) bond length is 2.18 Å. The Li(1)-O(5) bond length is 2.53 Å. The Li(1)-O(6) bond length is 2.03 Å. The Li(1)-O(8) bond length is 2.03 Å. Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), one O(8), two equivalent O(5), and two equivalent O(9) atoms. The Pb(1)-O(1) bond length is 2.76 Å. The Pb(1)-O(4) bond length is 2.61 Å. The Pb(1)-O(6) bond length is 2.59 Å. The Pb(1)-O(8) bond length is 2.77 Å. There is one shorter (2.67 Å) and one longer (2.76 Å) Pb(1)-O(5) bond length. There is one shorter (2.53 Å) and one longer (2.77 Å) Pb(1)-O(9) bond length. There are three 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 PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(2) bond length is 1.62 Å. The P(1)-O(4) bond length is 1.51 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(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The P(2)-O(3) bond length is 1.62 Å. The P(2)-O(5) bond length is 1.51 Å. The P(2)-O(7) bond length is 1.59 Å. The P(2)-O(9) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The P(3)-O(2) bond length is 1.61 Å. The P(3)-O(3) bond length is 1.64 Å. The P(3)-O(6) bond length is 1.50 Å. The P(3)-O(8) bond length is 1.50 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Pb(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1), one Pb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom.