Materials Data on Rb3VS4 by Materials Project
Rb3VS4 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 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.57 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.54 Å. V5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.16 Å) and two longer (2.17 Å) V–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Rb1+ and one V5+ atom to form distorted edge-sharing SRb5V octahedra. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one V5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to four Rb1+ and one V5+ atom.