Materials Data on Rb2CO3 by Materials Project

Abstract

Rb2CO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven O2- atoms to form distorted RbO7 hexagonal pyramids that share corners with six equivalent RbO7 hexagonal pyramids, a cornercorner with one RbO6 octahedra, edges with two equivalent RbO7 hexagonal pyramids, edges with five equivalent RbO6 octahedra, and a faceface with one RbO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There are a spread of Rb–O bond distances ranging from 3.02–3.06 Å. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form RbO6 octahedra that share a cornercorner with one RbO7 hexagonal pyramid, edges with five equivalent RbO7 hexagonal pyramids, a faceface with one RbO7 hexagonal pyramid, and faces with two equivalent RbO6 octahedra. There are a spread of Rb–O bond distances ranging from 2.84–2.95 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one C4+ atom.