U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThSi2 by Materials Project
Abstract
ThSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ThSi12 cuboctahedra. There are eight shorter (3.15 Å) and four longer (3.18 Å) Th–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Si–Si bond lengths.
- Publication Date:
- Other Number(s):
- mp-2844
- 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; Si-Th; ThSi2; crystal structure
- OSTI Identifier:
- 1202549
- DOI:
- https://doi.org/10.17188/1202549
Citation Formats
Materials Data on ThSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202549.
Materials Data on ThSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1202549
2020.
"Materials Data on ThSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1202549. https://www.osti.gov/servlets/purl/1202549. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202549,
title = {Materials Data on ThSi2 by Materials Project},
abstractNote = {ThSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing ThSi12 cuboctahedra. There are eight shorter (3.15 Å) and four longer (3.18 Å) Th–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) Si–Si bond lengths.},
doi = {10.17188/1202549},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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