Materials Data on U3(Al3Ru)4 by Materials Project
U3(RuAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to four equivalent Ru and eleven Al atoms. All U–Ru bond lengths are 3.31 Å. There are a spread of U–Al bond distances ranging from 2.99–3.26 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 (2.36 Å) and six longer (2.57 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 12-coordinate geometry to four equivalent U and eight Al atoms. There are a spread of Ru–Al bond distances ranging from 2.54–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent U and three Ru atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent U and two equivalent Ru atoms. In the third Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent U and three equivalent Ru atoms. In the fourth Al site, Al is bonded in a distorted linear geometry to three equivalent U and two equivalent Ru atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1274724
- Report Number(s):
- mp-568842
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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