Materials Data on NaSbO6 by Materials Project

Abstract

NaSbO6 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 53–68°. There are a spread of Na–O bond distances ranging from 2.30–2.46 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 53–68°. There are a spread of Sb–O bond distances ranging from 1.83–2.43 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Na, one Sb, and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Sb, and one O atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom.