Materials Data on CePr4O10 by Materials Project

Abstract

Pr4CeO10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Pr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.46–2.49 Å. Ce4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ce–O bond lengths are 2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Pr4+ and one Ce4+ atom to form a mixture of edge and corner-sharing OCePr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pr4+ atoms to form OPr4 tetrahedra that share corners with sixteen equivalent OCePr3 tetrahedra and edges with six OPr4 tetrahedra.