U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La(Al5Ru)2 by Materials Project
Abstract
La(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All La–Ru bond lengths are 3.51 Å. There are a spread of La–Al bond distances ranging from 3.22–3.68 Å. Ru is bonded in a 10-coordinate geometry to two equivalent La and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.79 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.90 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.90 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Theremore »
- Publication Date:
- Other Number(s):
- mp-1211269
- 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-La-Ru; La(Al5Ru)2; crystal structure
- OSTI Identifier:
- 1717241
- DOI:
- https://doi.org/10.17188/1717241
Citation Formats
Materials Data on La(Al5Ru)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717241.
Materials Data on La(Al5Ru)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717241
2020.
"Materials Data on La(Al5Ru)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717241. https://www.osti.gov/servlets/purl/1717241. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1717241,
title = {Materials Data on La(Al5Ru)2 by Materials Project},
abstractNote = {La(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All La–Ru bond lengths are 3.51 Å. There are a spread of La–Al bond distances ranging from 3.22–3.68 Å. Ru is bonded in a 10-coordinate geometry to two equivalent La and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.79 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.90 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. Both Al–Al bond lengths are 2.90 Å. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent La, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.84 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one La, two equivalent Ru, and nine Al atoms. The Al–Al bond length is 2.70 Å.},
doi = {10.17188/1717241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}