Materials Data on ThUS2 by Materials Project
Abstract
UThS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–S bond lengths are 2.75 Å. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Th–S bond lengths are 2.85 Å. S is bonded to three equivalent U and three equivalent Th atoms to form a mixture of corner and edge-sharing STh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217311
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ThUS2; S-Th-U
- OSTI Identifier:
- 1752596
- DOI:
- https://doi.org/10.17188/1752596
Citation Formats
The Materials Project. Materials Data on ThUS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1752596.
The Materials Project. Materials Data on ThUS2 by Materials Project. United States. doi:https://doi.org/10.17188/1752596
The Materials Project. 2020.
"Materials Data on ThUS2 by Materials Project". United States. doi:https://doi.org/10.17188/1752596. https://www.osti.gov/servlets/purl/1752596. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1752596,
title = {Materials Data on ThUS2 by Materials Project},
author = {The Materials Project},
abstractNote = {UThS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–S bond lengths are 2.75 Å. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Th–S bond lengths are 2.85 Å. S is bonded to three equivalent U and three equivalent Th atoms to form a mixture of corner and edge-sharing STh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1752596},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}