Materials Data on Th3S by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316064· OSTI ID:1316064

The Materials Project

Th3S is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent S atoms to form a mixture of distorted edge and corner-sharing ThS4 cuboctahedra. All Th–S bond lengths are 3.41 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent S atoms. All Th–S bond lengths are 3.30 Å. S is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing STh12 cuboctahedra.

• 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: 1316064
• Report Number(s): mp-978993
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Th3S
S-Th