Materials Data on Na8SnO6 by Materials Project

Abstract

Na8SnO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.48 Å) and three longer (2.72 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with two equivalent SnO6 octahedra, corners with six equivalent NaO4 tetrahedra, an edgeedge with one SnO6 octahedra, and edges with three equivalent NaO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are a spread of Na–O bond distances ranging from 2.25–2.49 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with twelve equivalent NaO4 tetrahedra and edges with six equivalent NaO4 tetrahedra. All Sn–O bond lengths are 2.20 Å. O2- is bonded in a 7-coordinate geometry to six Na1+ and one Sn4+ atom.