U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce2(Al3Ir)3 by Materials Project
Abstract
Ce2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are four shorter (3.45 Å) and two longer (3.47 Å) Ce–Ir bond lengths. There are a spread of Ce–Al bond distances ranging from 3.06–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Ce and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.64 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Ce and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce, three Ir, and one Al atom. The Al–Al bond length is 2.81 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ce, three Ir, and five Al atoms.more »
- Publication Date:
- Other Number(s):
- mp-1213885
- 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-Ir; Ce2(Al3Ir)3; crystal structure
- OSTI Identifier:
- 1664281
- DOI:
- https://doi.org/10.17188/1664281
Citation Formats
Materials Data on Ce2(Al3Ir)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664281.
Materials Data on Ce2(Al3Ir)3 by Materials Project. United States. doi:https://doi.org/10.17188/1664281
2020.
"Materials Data on Ce2(Al3Ir)3 by Materials Project". United States. doi:https://doi.org/10.17188/1664281. https://www.osti.gov/servlets/purl/1664281. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1664281,
title = {Materials Data on Ce2(Al3Ir)3 by Materials Project},
abstractNote = {Ce2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are four shorter (3.45 Å) and two longer (3.47 Å) Ce–Ir bond lengths. There are a spread of Ce–Al bond distances ranging from 3.06–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Ce and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.64 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Ce and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.56–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce, three Ir, and one Al atom. The Al–Al bond length is 2.81 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ce, three Ir, and five Al atoms. There are one shorter (2.73 Å) and two longer (2.86 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ir, and two equivalent Al atoms.},
doi = {10.17188/1664281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}