Materials Data on Ce4SnO10 by Materials Project

Abstract

Ce4SnO10 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.37 Å) Ce–O bond lengths. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.39 Å. Sn4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.25 Å) and four longer (2.29 Å) Sn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to three Ce4+ and one Sn4+ atom to form a mixture of edge and corner-sharing OCe3Sn tetrahedra. In the third O2- site, O2- is bonded to two equivalent Ce4+ and two equivalent Sn4+ atoms to form OCe2Sn2 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe3Sn tetrahedra.