U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr3(Al3Ru)4 by Materials Project
Abstract
Pr3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to four equivalent Ru and eleven Al atoms. All Pr–Ru bond lengths are 3.41 Å. There are a spread of Pr–Al bond distances ranging from 2.97–3.24 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 (2.43 Å) and six longer (2.61 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Pr and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Pr and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pr and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Ru atoms. In the fourth Al site, Al is bonded to three equivalent Pr and two equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209381
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Pr3(Al3Ru)4; Al-Pr-Ru
- OSTI Identifier:
- 1675457
- DOI:
- https://doi.org/10.17188/1675457
Citation Formats
The Materials Project. Materials Data on Pr3(Al3Ru)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675457.
The Materials Project. Materials Data on Pr3(Al3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1675457
The Materials Project. 2020.
"Materials Data on Pr3(Al3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1675457. https://www.osti.gov/servlets/purl/1675457. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1675457,
title = {Materials Data on Pr3(Al3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to four equivalent Ru and eleven Al atoms. All Pr–Ru bond lengths are 3.41 Å. There are a spread of Pr–Al bond distances ranging from 2.97–3.24 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 (2.43 Å) and six longer (2.61 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent Pr and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Pr and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pr and three Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Ru atoms. In the fourth Al site, Al is bonded to three equivalent Pr and two equivalent Ru atoms to form distorted corner-sharing AlPr3Ru2 trigonal bipyramids.},
doi = {10.17188/1675457},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}