Materials Data on Rb2TeO3 by Materials Project

Abstract

Rb2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six O2- atoms to form face-sharing RbO6 octahedra. There are two shorter (2.84 Å) and four longer (2.86 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 3.05–3.45 Å. In the third Rb1+ site, Rb1+ is bonded to six O2- atoms to form face-sharing RbO6 octahedra. There are two shorter (2.90 Å) and four longer (3.09 Å) Rb–O bond lengths. Te4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Te–O bond lengths are 1.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Te4+ atom.