Materials Data on Rb6Te2O9 by Materials Project

Abstract

Rb6Te2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.55 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.81–3.15 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.53 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–1.96 Å. In the second Te6+ site, Te6+ is bonded in a tetrahedral geometry to four O2- atoms. All Te–O bond lengths are 1.85 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Te6+ atom.