Materials Data on Ce2UO6 by Materials Project

Abstract

Ce2UO6 is Fluorite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. U6+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.25–2.35 Å. There are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.41 Å. In the second Ce3+ site, Ce3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.38–2.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the second O2- site, O2- is bonded to two equivalent U6+ and two Ce3+ atoms to form a mixture of corner and edge-sharing OCe2U2 tetrahedra. In the third O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the fourth O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent U6+ and two Ce3+ atoms to form a mixture of corner and edge-sharing OCe2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U6+ and three Ce3+ atoms to form a mixture of corner and edge-sharing OCe3U tetrahedra.