U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er(Al2Cu)4 by Materials Project
Abstract
Al8Cu4Er crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Er–Cu bond lengths are 3.36 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Er–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.
- Publication Date:
- Other Number(s):
- mp-1104269
- 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-Cu-Er; Er(Al2Cu)4; crystal structure
- OSTI Identifier:
- 1741833
- DOI:
- https://doi.org/10.17188/1741833
Citation Formats
Materials Data on Er(Al2Cu)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741833.
Materials Data on Er(Al2Cu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1741833
2020.
"Materials Data on Er(Al2Cu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1741833. https://www.osti.gov/servlets/purl/1741833. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1741833,
title = {Materials Data on Er(Al2Cu)4 by Materials Project},
abstractNote = {Al8Cu4Er crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Er–Cu bond lengths are 3.36 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Er–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Er, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.83 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Er, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.71 Å.},
doi = {10.17188/1741833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}