Materials Data on RbSnIO6 by Materials Project

Abstract

RbSnO6I crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Rb is bonded to six equivalent O atoms to form distorted RbO6 pentagonal pyramids that share corners with six equivalent SnO6 octahedra and corners with six equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 48–57°. All Rb–O bond lengths are 2.93 Å. Sn is bonded to six equivalent O atoms to form SnO6 octahedra that share corners with six equivalent RbO6 pentagonal pyramids and edges with three equivalent IO6 octahedra. All Sn–O bond lengths are 2.11 Å. O is bonded in a distorted trigonal planar geometry to one Rb, one Sn, and one I atom. The O–I bond length is 1.92 Å. I is bonded to six equivalent O atoms to form IO6 octahedra that share corners with six equivalent RbO6 pentagonal pyramids and edges with three equivalent SnO6 octahedra.