U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm(Al5Ru)2 by Materials Project
Abstract
Sm(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Sm–Ru bond lengths are 3.48 Å. There are a spread of Sm–Al bond distances ranging from 3.18–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Sm and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Sm and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Sm and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Sm and two equivalent Ru atoms.
- Publication Date:
- Other Number(s):
- mp-1208900
- 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-Ru-Sm; Sm(Al5Ru)2; crystal structure
- OSTI Identifier:
- 1672413
- DOI:
- https://doi.org/10.17188/1672413
Citation Formats
Materials Data on Sm(Al5Ru)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672413.
Materials Data on Sm(Al5Ru)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672413
2020.
"Materials Data on Sm(Al5Ru)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672413. https://www.osti.gov/servlets/purl/1672413. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1672413,
title = {Materials Data on Sm(Al5Ru)2 by Materials Project},
abstractNote = {Sm(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Sm–Ru bond lengths are 3.48 Å. There are a spread of Sm–Al bond distances ranging from 3.18–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Sm and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.58–2.77 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Sm and two equivalent Ru atoms. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Sm and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Sm and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Sm and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a 12-coordinate geometry to one Sm and two equivalent Ru atoms.},
doi = {10.17188/1672413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}