Materials Data on Rb2Se5 by Materials Project

Abstract

Rb2Se5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.49–3.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–3.97 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 7-coordinate geometry to six Rb1+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.40 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to four Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.37 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one Se+0.40- atom.