DOE OSTI2020
UPb(SeO4)2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.84–2.52 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.42–2.92 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.96 Å. There are three inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.74 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. In the third Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.76 Å) Se–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Pb2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+, one Pb2+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+, one Pb2+, and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Pb2+, and one Se4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one U6+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one Pb2+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Pb2+, and one Se4+ atom.