U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(Al5Ru)2 by Materials Project
Abstract
CeRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Ce–Ru bond lengths are 3.48 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.66 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, two equivalent Ru, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–3.08 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalent Ru, and two equivalent Almore »
- Publication Date:
- Other Number(s):
- mp-31364
- 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-Ce-Ru; Ce(Al5Ru)2; crystal structure
- OSTI Identifier:
- 1205611
- DOI:
- https://doi.org/10.17188/1205611
Citation Formats
Materials Data on Ce(Al5Ru)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1205611.
Materials Data on Ce(Al5Ru)2 by Materials Project. United States. doi:https://doi.org/10.17188/1205611
2017.
"Materials Data on Ce(Al5Ru)2 by Materials Project". United States. doi:https://doi.org/10.17188/1205611. https://www.osti.gov/servlets/purl/1205611. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1205611,
title = {Materials Data on Ce(Al5Ru)2 by Materials Project},
abstractNote = {CeRu2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Ce–Ru bond lengths are 3.48 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.66 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Ce and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.59–2.76 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. There are one shorter (2.68 Å) and one longer (2.82 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to one Ce, two equivalent Ru, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–3.08 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Ce, two equivalent Ru, and two equivalent Al atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two equivalent Ru, and two equivalent Al atoms.},
doi = {10.17188/1205611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}