Materials Data on NaHoO2 by Materials Project

Abstract

NaHoO2 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 HoO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Na–O bond lengths are 2.54 Å. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent HoO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Ho–O bond lengths are 2.29 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.