U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrAl3Cu by Materials Project
Abstract
PrCuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Al atoms. All Pr–Cu bond lengths are 3.33 Å. There are four shorter (3.17 Å) and eight longer (3.42 Å) Pr–Al bond lengths. Cu is bonded in a 5-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.42 Å) and four longer (2.47 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to four equivalent Pr, one Cu, and four equivalent Al atoms. All Al–Al bond lengths are 2.72 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent Pr, two equivalent Cu, and two equivalent Al atoms.
- Publication Date:
- Other Number(s):
- mp-1069825
- 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-Pr; PrAl3Cu; crystal structure
- OSTI Identifier:
- 1691117
- DOI:
- https://doi.org/10.17188/1691117
Citation Formats
Materials Data on PrAl3Cu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1691117.
Materials Data on PrAl3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1691117
2020.
"Materials Data on PrAl3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1691117. https://www.osti.gov/servlets/purl/1691117. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1691117,
title = {Materials Data on PrAl3Cu by Materials Project},
abstractNote = {PrCuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Al atoms. All Pr–Cu bond lengths are 3.33 Å. There are four shorter (3.17 Å) and eight longer (3.42 Å) Pr–Al bond lengths. Cu is bonded in a 5-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.42 Å) and four longer (2.47 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to four equivalent Pr, one Cu, and four equivalent Al atoms. All Al–Al bond lengths are 2.72 Å. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent Pr, two equivalent Cu, and two equivalent Al atoms.},
doi = {10.17188/1691117},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}