U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho3(Al3Ru)4 by Materials Project
Abstract
Ho3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Ho–Ru bond lengths are 3.37 Å. There are a spread of Ho–Al bond distances ranging from 2.96–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.40 Å) and six longer (2.58 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.55–2.69 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Homore »
- Publication Date:
- Other Number(s):
- mp-1212260
- 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-Ho-Ru; Ho3(Al3Ru)4; crystal structure
- OSTI Identifier:
- 1666461
- DOI:
- https://doi.org/10.17188/1666461
Citation Formats
Materials Data on Ho3(Al3Ru)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1666461.
Materials Data on Ho3(Al3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1666461
2020.
"Materials Data on Ho3(Al3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1666461. https://www.osti.gov/servlets/purl/1666461. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1666461,
title = {Materials Data on Ho3(Al3Ru)4 by Materials Project},
abstractNote = {Ho3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All Ho–Ru bond lengths are 3.37 Å. There are a spread of Ho–Al bond distances ranging from 2.96–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.40 Å) and six longer (2.58 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.55–2.69 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent Ho and two equivalent Ru atoms.},
doi = {10.17188/1666461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}