Materials Data on Rb2MoSe4 by Materials Project
Rb2MoSe4 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 in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.71–3.93 Å. Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.33 Å) and one longer (2.35 Å) Mo–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Rb1+ and one Mo6+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo6+ atom.