U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on USiS by Materials Project
Abstract
USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to five equivalent Si4- and four equivalent S2- atoms. There are one shorter (2.77 Å) and four longer (2.99 Å) U–Si bond lengths. All U–S bond lengths are 2.70 Å. Si4- is bonded to five equivalent U6+ atoms to form distorted SiU5 trigonal bipyramids that share corners with twelve equivalent SU4 tetrahedra, corners with four equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with eight equivalent SiU5 trigonal bipyramids. S2- is bonded to four equivalent U6+ atoms to form distorted SU4 tetrahedra that share corners with four equivalent SU4 tetrahedra, corners with twelve equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with four equivalent SiU5 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-7932
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; S-Si-U; USiS; crystal structure
- OSTI Identifier:
- 1307838
- DOI:
- https://doi.org/10.17188/1307838
Citation Formats
Materials Data on USiS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307838.
Materials Data on USiS by Materials Project. United States. doi:https://doi.org/10.17188/1307838
2020.
"Materials Data on USiS by Materials Project". United States. doi:https://doi.org/10.17188/1307838. https://www.osti.gov/servlets/purl/1307838. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307838,
title = {Materials Data on USiS by Materials Project},
abstractNote = {USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to five equivalent Si4- and four equivalent S2- atoms. There are one shorter (2.77 Å) and four longer (2.99 Å) U–Si bond lengths. All U–S bond lengths are 2.70 Å. Si4- is bonded to five equivalent U6+ atoms to form distorted SiU5 trigonal bipyramids that share corners with twelve equivalent SU4 tetrahedra, corners with four equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with eight equivalent SiU5 trigonal bipyramids. S2- is bonded to four equivalent U6+ atoms to form distorted SU4 tetrahedra that share corners with four equivalent SU4 tetrahedra, corners with twelve equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with four equivalent SiU5 trigonal bipyramids.},
doi = {10.17188/1307838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}