U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd2(Al3Ir)3 by Materials Project
Abstract
Gd2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Gd–Ir bond distances ranging from 3.43–3.48 Å. There are a spread of Gd–Al bond distances ranging from 3.05–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Gd and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Gd and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Gd and three Ir atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry tomore »
- Publication Date:
- Other Number(s):
- mp-569472
- 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-Gd-Ir; Gd2(Al3Ir)3; crystal structure
- OSTI Identifier:
- 1275114
- DOI:
- https://doi.org/10.17188/1275114
Citation Formats
Materials Data on Gd2(Al3Ir)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275114.
Materials Data on Gd2(Al3Ir)3 by Materials Project. United States. doi:https://doi.org/10.17188/1275114
2020.
"Materials Data on Gd2(Al3Ir)3 by Materials Project". United States. doi:https://doi.org/10.17188/1275114. https://www.osti.gov/servlets/purl/1275114. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1275114,
title = {Materials Data on Gd2(Al3Ir)3 by Materials Project},
abstractNote = {Gd2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Gd–Ir bond distances ranging from 3.43–3.48 Å. There are a spread of Gd–Al bond distances ranging from 3.05–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Gd and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Gd and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.57–2.63 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Gd and three Ir atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ir atoms.},
doi = {10.17188/1275114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 04:00:00 UTC 2020},
month = {Thu Jul 23 04:00:00 UTC 2020}
}