U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YAl3 by Materials Project
Abstract
Al3Y crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve Al atoms to form a mixture of corner and face-sharing YAl12 cuboctahedra. There are a spread of Y–Al bond distances ranging from 3.03–3.11 Å. In the second Y site, Y is bonded to twelve Al atoms to form a mixture of corner and face-sharing YAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.10 Å) Y–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Y and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.89 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Y and eight Al atoms. All Al–Al bond lengths are 3.10 Å.
- Publication Date:
- Other Number(s):
- mp-2451
- 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-Y; YAl3; crystal structure
- OSTI Identifier:
- 1200126
- DOI:
- https://doi.org/10.17188/1200126
Citation Formats
Materials Data on YAl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200126.
Materials Data on YAl3 by Materials Project. United States. doi:https://doi.org/10.17188/1200126
2020.
"Materials Data on YAl3 by Materials Project". United States. doi:https://doi.org/10.17188/1200126. https://www.osti.gov/servlets/purl/1200126. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1200126,
title = {Materials Data on YAl3 by Materials Project},
abstractNote = {Al3Y crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve Al atoms to form a mixture of corner and face-sharing YAl12 cuboctahedra. There are a spread of Y–Al bond distances ranging from 3.03–3.11 Å. In the second Y site, Y is bonded to twelve Al atoms to form a mixture of corner and face-sharing YAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.10 Å) Y–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Y and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.89 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Y and eight Al atoms. All Al–Al bond lengths are 3.10 Å.},
doi = {10.17188/1200126},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}