Materials Data on U3S5 by Materials Project

Abstract

U3S5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U+3.33+ sites. In the first U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.75–3.24 Å. In the second U+3.33+ site, U+3.33+ is bonded in a 10-coordinate geometry to eight equivalent S2- atoms. All U–S bond lengths are 2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent U+3.33+ atoms to form distorted edge-sharing SU4 tetrahedra. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six U+3.33+ atoms.