PbSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pb(1), one Pb(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Pb(1) and one Se(1) atom. In the fifth O site, O(5) is bonded to one Pb(1), two equivalent Pb(2), and one Se(2) atom to form distorted corner-sharing OPb3Se tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pb(2) and one Se(1) atom.
PbSeO3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. The Pb(1)-O(1) bond length is 2.65 Å. The Pb(1)-O(2) bond length is 2.74 Å. The Pb(1)-O(5) bond length is 2.71 Å. There is one shorter (2.62 Å) and one longer (2.77 Å) Pb(1)-O(3) bond length. There is one shorter (2.53 Å) and one longer (2.75 Å) Pb(1)-O(4) bond length. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(5), and two equivalent O(6) atoms. The Pb(2)-O(2) bond length is 2.39 Å. There is one shorter (2.57 Å) and one longer (2.68 Å) Pb(2)-O(5) bond length. There is one shorter (2.53 Å) and one longer (2.64 Å) Pb(2)-O(6) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(4), and one O(6) atom. The Se(1)-O(1) bond length is 1.70 Å. The Se(1)-O(4) bond length is 1.72 Å. The Se(1)-O(6) bond length is 1.72 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(5) atom. The Se(2)-O(2) bond length is 1.72 Å. The Se(2)-O(3) bond length is 1.69 Å. The Se(2)-O(5) bond length is 1.72 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Pb(1), one Pb(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Pb(1) and one Se(1) atom. In the fifth O site, O(5) is bonded to one Pb(1), two equivalent Pb(2), and one Se(2) atom to form distorted corner-sharing OPb3Se tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pb(2) and one Se(1) atom.