Materials Data on UCd(PbO3)2 by Materials Project

Abstract

Pb2CdUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of U–O bond distances ranging from 2.08–2.13 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Cd–O bond distances ranging from 2.35–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–3.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one U6+, one Cd2+, and two equivalent Pb2+ atoms.