Materials Data on Cs2Mo(SO)2 by Materials Project

Abstract

Cs2Mo(SO)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 3-coordinate geometry to five equivalent S2- and three equivalent O2- atoms. There are a spread of Cs–S bond distances ranging from 3.65–3.96 Å. There are a spread of Cs–O bond distances ranging from 3.10–3.22 Å. Mo6+ is bonded in a tetrahedral geometry to two equivalent S2- and two equivalent O2- atoms. Both Mo–S bond lengths are 2.24 Å. Both Mo–O bond lengths are 1.78 Å. S2- is bonded in a 1-coordinate geometry to five equivalent Cs1+ and one Mo6+ atom. O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Mo6+ atom.