Materials Data on Rh17S15 by Materials Project

Abstract

Rh17S15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a rectangular see-saw-like geometry to four S atoms. There are a spread of Rh–S bond distances ranging from 2.31–2.38 Å. In the second Rh site, Rh is bonded in an octahedral geometry to six equivalent S atoms. All Rh–S bond lengths are 2.38 Å. In the third Rh site, Rh is bonded in a distorted rectangular see-saw-like geometry to one Rh and four equivalent S atoms. The Rh–Rh bond length is 2.62 Å. All Rh–S bond lengths are 2.30 Å. In the fourth Rh site, Rh is bonded in a distorted octahedral geometry to two equivalent Rh and four equivalent S atoms. All Rh–S bond lengths are 2.40 Å. There are three inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to five Rh atoms. In the second S site, S is bonded in a 4-coordinate geometry to four Rh atoms. In the third S site, S is bonded in a 5-coordinate geometry to five Rh atoms.