Materials Data on US2 by Materials Project

Abstract

US2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.75–3.04 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are two shorter (2.77 Å) and six longer (2.78 Å) U–S bond lengths. In the third U4+ site, U4+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of U–S bond distances ranging from 2.74–3.05 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four U4+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to four U4+ atoms.