Materials Data on Rb2SnO3 by Materials Project

Abstract

Rb2SnO3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with four equivalent RbO7 pentagonal bipyramids, corners with five equivalent SnO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, edges with four equivalent RbO7 pentagonal bipyramids, and edges with three equivalent RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.90–3.12 Å. In the second Rb1+ site, Rb1+ is bonded to seven O2- atoms to form distorted RbO7 pentagonal bipyramids that share corners with four equivalent RbO7 pentagonal bipyramids, a cornercorner with one SnO4 tetrahedra, corners with four equivalent RbO5 trigonal bipyramids, edges with three equivalent RbO7 pentagonal bipyramids, edges with four equivalent SnO4 tetrahedra, and edges with four equivalent RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.89–3.26 Å. Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one RbO7 pentagonal bipyramid, corners with two equivalent SnO4 tetrahedra, corners with five equivalent RbO5 trigonal bipyramids, and edges with four equivalent RbO7 pentagonal bipyramids. There are a spread of Sn–O bond distances ranging from 1.95–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded to five Rb1+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing ORb5Sn octahedra. The corner-sharing octahedral tilt angles are 18°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn4+ atom.