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Title: Materials Data on US2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1284086· OSTI ID:1284086

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1284086
Report Number(s):
mp-685066
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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