Materials Data on Ce2SbO2 by Materials Project

Abstract

Ce2SbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four O2- atoms. There are a spread of Ce–Sb bond distances ranging from 3.35–3.49 Å. There are two shorter (2.33 Å) and two longer (2.34 Å) Ce–O bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to four equivalent Sb2- and four O2- atoms. There are a spread of Ce–Sb bond distances ranging from 3.37–3.54 Å. There are two shorter (2.33 Å) and two longer (2.34 Å) Ce–O bond lengths. Sb2- is bonded in a body-centered cubic geometry to eight Ce3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra. In the second O2- site, O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.