U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti2Al by Materials Project
Abstract
Ti2Al is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to four equivalent Ti and six equivalent Al atoms. All Ti–Al bond lengths are 3.15 Å. Al is bonded in a 4-coordinate geometry to ten Ti atoms.
- Publication Date:
- Other Number(s):
- mp-1008753
- 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; Al-Ti; Ti2Al; crystal structure
- OSTI Identifier:
- 1325113
- DOI:
- https://doi.org/10.17188/1325113
Citation Formats
Materials Data on Ti2Al by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1325113.
Materials Data on Ti2Al by Materials Project. United States. doi:https://doi.org/10.17188/1325113
2020.
"Materials Data on Ti2Al by Materials Project". United States. doi:https://doi.org/10.17188/1325113. https://www.osti.gov/servlets/purl/1325113. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1325113,
title = {Materials Data on Ti2Al by Materials Project},
abstractNote = {Ti2Al is half-Heusler-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to four equivalent Ti and six equivalent Al atoms. All Ti–Al bond lengths are 3.15 Å. Al is bonded in a 4-coordinate geometry to ten Ti atoms.},
doi = {10.17188/1325113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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