Materials Data on Rb2SeO4 by Materials Project

Abstract

Rb2SeO4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.08 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.27 Å. Se6+ is bonded in a water-like geometry to two O2- atoms. Both Se–O bond lengths are 1.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one O2- atom. The O–O bond length is 1.36 Å. In the fourth O2- site, O2- is bonded to three Rb1+ and one O2- atom to form distorted corner-sharing ORb3O trigonal pyramids.