Materials Data on Rb2Co3S4 by Materials Project

Abstract

Rb2Co3S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.39–3.47 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. All Co–S bond lengths are 2.20 Å. In the second Co2+ site, Co2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CoS4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.22 Å) Co–S bond lengths. S2- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and three Co2+ atoms.