Materials Data on CeUO4 by Materials Project

Abstract

UCeO4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.24 Å) and six longer (2.34 Å) U–O bond lengths. Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.40 Å) and two longer (2.43 Å) Ce–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one U5+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing OCe3U tetrahedra. In the second O2- site, O2- is bonded to three equivalent U5+ and one Ce3+ atom to form a mixture of edge and corner-sharing OCeU3 tetrahedra.