Materials Data on Na2Sb3O8 by Materials Project

Abstract

Na2Sb3O8 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Na is bonded to four O atoms to form NaO4 tetrahedra that share corners with nine equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 54–60°. There are three shorter (2.32 Å) and one longer (2.33 Å) Na–O bond lengths. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent NaO4 tetrahedra and edges with four equivalent SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.01–2.17 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Na and two equivalent Sb atoms. In the second O site, O is bonded to one Na and three equivalent Sb atoms to form distorted corner-sharing ONaSb3 tetrahedra.