Materials Data on Dy2O3 by Materials Project

Abstract

Dy2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Dy3+ atoms to form ODy4 tetrahedra that share corners with six equivalent ODy6 octahedra, corners with six equivalent ODy4 tetrahedra, edges with three equivalent ODy6 octahedra, and edges with three equivalent ODy4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–55°. In the second O2- site, O2- is bonded to six equivalent Dy3+ atoms to form ODy6 octahedra that share corners with twelve equivalent ODy4 tetrahedra, edges with six equivalent ODy6 octahedra, and edges with six equivalent ODy4 tetrahedra.