Materials Data on Rb2Ni3S4 by Materials Project

Abstract

Rb2Ni3S4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.58 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Ni–S bond lengths are 2.21 Å. In the second Ni2+ site, Ni2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Ni–S bond lengths are 2.22 Å. S2- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and three Ni2+ atoms.