PbSnO3 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Pb(2) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Pb(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms.
PbSnO3 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Pb(1)-O(3) bond lengths are 2.47 Å. Both Pb(1)-O(4) bond lengths are 2.59 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Both Pb(2)-O(1) bond lengths are 2.78 Å. Both Pb(2)-O(2) bond lengths are 2.56 Å. There is one shorter (2.59 Å) and one longer (2.69 Å) Pb(2)-O(5) bond length. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. The Sn(1)-O(1) bond length is 2.09 Å. The Sn(1)-O(2) bond length is 2.12 Å. The Sn(1)-O(4) bond length is 2.10 Å. The Sn(1)-O(5) bond length is 2.10 Å. There is one shorter (2.08 Å) and one longer (2.14 Å) Sn(1)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Pb(2) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Pb(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms.