Materials Data on NaDyO2 by Materials Project

Abstract

NaDyO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent DyO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.55 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Dy–O bond lengths are 2.31 Å. O2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.