Materials Data on Sb(Mo3S4)2 by Materials Project

Abstract

SbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+3.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.55 Å. Sb3- is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are two shorter (2.68 Å) and six longer (3.10 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Mo+3.17+ and one Sb3- atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Mo+3.17+ and one Sb3- atom.