U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YAl3Ni by Materials Project
Abstract
YNiAl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ni, and eleven Al atoms. Both Y–Y bond lengths are 3.65 Å. Both Y–Ni bond lengths are 3.10 Å. There are a spread of Y–Al bond distances ranging from 3.03–3.64 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.36–2.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y, three equivalent Ni, and two equivalent Al atoms. There are one shorter (2.63 Å) and one longer (2.86 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ni, and four equivalent Al atoms. There are two shorter (2.90 Å) and two longer (2.93 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ni, and six Al atoms.
- Publication Date:
- Other Number(s):
- mp-4054
- 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-Ni-Y; YAl3Ni; crystal structure
- OSTI Identifier:
- 1207804
- DOI:
- https://doi.org/10.17188/1207804
Citation Formats
Materials Data on YAl3Ni by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207804.
Materials Data on YAl3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1207804
2020.
"Materials Data on YAl3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1207804. https://www.osti.gov/servlets/purl/1207804. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1207804,
title = {Materials Data on YAl3Ni by Materials Project},
abstractNote = {YNiAl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ni, and eleven Al atoms. Both Y–Y bond lengths are 3.65 Å. Both Y–Ni bond lengths are 3.10 Å. There are a spread of Y–Al bond distances ranging from 3.03–3.64 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.36–2.50 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y, three equivalent Ni, and two equivalent Al atoms. There are one shorter (2.63 Å) and one longer (2.86 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ni, and four equivalent Al atoms. There are two shorter (2.90 Å) and two longer (2.93 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Y, two equivalent Ni, and six Al atoms.},
doi = {10.17188/1207804},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}