PbSnP2O8 crystallizes in the monoclinic P2_1/c space group. Pb(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(4) atoms. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three 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(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one P(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one Pb(1), one Sn(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a 2-coordinate geometry to one Pb(1), one Sn(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom.
PbSnP2O8 crystallizes in the monoclinic P2_1/c space group. Pb(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(4) atoms. The Pb(1)-O(5) bond length is 2.30 Å. The Pb(1)-O(6) bond length is 2.76 Å. The Pb(1)-O(8) bond length is 2.77 Å. There is one shorter (2.43 Å) and one longer (2.79 Å) Pb(1)-O(4) bond length. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form SnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Sn(1)-O(1) bond length is 2.04 Å. The Sn(1)-O(2) bond length is 2.06 Å. The Sn(1)-O(3) bond length is 2.07 Å. The Sn(1)-O(6) bond length is 2.08 Å. The Sn(1)-O(7) bond length is 2.08 Å. The Sn(1)-O(8) 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(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. The P(2)-O(5) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.57 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Pb(1) and one P(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to one Pb(1), one Sn(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a 2-coordinate geometry to one Pb(1), one Sn(1), and one P(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom.