Materials Data on Ce2Dy2O7 by Materials Project

Abstract

Dy2Ce2O7 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Dy3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Dy–O bond distances ranging from 2.18–2.45 Å. Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.29–2.46 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with sixteen ODy4 tetrahedra and edges with two equivalent OCe2Dy2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form OCe2Dy2 tetrahedra that share corners with twelve OCe4 tetrahedra and edges with six ODy4 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe2Dy2 tetrahedra. In the fourth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe2Dy2 tetrahedra and edges with six OCe4 tetrahedra. In the fifth O2- site, O2- is bonded to four equivalent Ce4+ atoms to form OCe4 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCe2Dy2 tetrahedra.