U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti3Si by Materials Project
Abstract
Ti3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Si atoms. All Ti–Ti bond lengths are 2.72 Å. All Ti–Si bond lengths are 2.72 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Si atoms. All Ti–Si bond lengths are 3.14 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.
- Publication Date:
- Other Number(s):
- mp-998986
- 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-Ti; Ti3Si; crystal structure
- OSTI Identifier:
- 1317449
- DOI:
- https://doi.org/10.17188/1317449
Citation Formats
Materials Data on Ti3Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317449.
Materials Data on Ti3Si by Materials Project. United States. doi:https://doi.org/10.17188/1317449
2020.
"Materials Data on Ti3Si by Materials Project". United States. doi:https://doi.org/10.17188/1317449. https://www.osti.gov/servlets/purl/1317449. Pub date:Tue Jul 21 04:00:00 UTC 2020
@article{osti_1317449,
title = {Materials Data on Ti3Si by Materials Project},
abstractNote = {Ti3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Si atoms. All Ti–Ti bond lengths are 2.72 Å. All Ti–Si bond lengths are 2.72 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Si atoms. All Ti–Si bond lengths are 3.14 Å. Si is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},
doi = {10.17188/1317449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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