Materials Data on U(Mo3S4)2 by Materials Project

Abstract

U(Mo3S4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. U4+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.74 Å) and six longer (2.94 Å) U–S bond lengths. Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 trigonal bipyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one U4+ and three equivalent Mo2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one U4+ and four equivalent Mo2+ atoms.