Materials Data on NaSbO3 by Materials Project

Abstract

NaSbO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with nine equivalent SbO6 octahedra, edges with three equivalent NaO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.35 Å) and three longer (2.61 Å) Na–O bond lengths. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with nine equivalent NaO6 octahedra, edges with three equivalent SbO6 octahedra, and a faceface with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.01 Å) and three longer (2.04 Å) Sb–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Sb5+ atoms.