U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th(Al2Cu)4 by Materials Project
Abstract
Th(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Th–Cu bond lengths are 3.42 Å. There are four shorter (3.13 Å) and eight longer (3.23 Å) Th–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Th, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.59 Å) and four longer (2.73 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 Th, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Th, four equivalent Cu, and four equivalent Al atoms.
- Publication Date:
- Other Number(s):
- mp-1104798
- 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-Th; Th(Al2Cu)4; crystal structure
- OSTI Identifier:
- 1684434
- DOI:
- https://doi.org/10.17188/1684434
Citation Formats
Materials Data on Th(Al2Cu)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684434.
Materials Data on Th(Al2Cu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1684434
2020.
"Materials Data on Th(Al2Cu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1684434. https://www.osti.gov/servlets/purl/1684434. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1684434,
title = {Materials Data on Th(Al2Cu)4 by Materials Project},
abstractNote = {Th(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Th–Cu bond lengths are 3.42 Å. There are four shorter (3.13 Å) and eight longer (3.23 Å) Th–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Th, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are four shorter (2.59 Å) and four longer (2.73 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 Th, four equivalent Cu, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Th, four equivalent Cu, and four equivalent Al atoms.},
doi = {10.17188/1684434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}