Materials Data on US2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1202587· OSTI ID:1202587

The Materials Project

US2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are three shorter (2.73 Å) and six longer (2.95 Å) U–S bond lengths. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are six shorter (2.71 Å) and three longer (2.96 Å) U–S bond lengths. There are two 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 to four U4+ atoms to form a mixture of distorted corner and edge-sharing SU4 tetrahedra.

• 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: 1202587
• Report Number(s): mp-2849
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
US2
S-U