Materials Data on U(Al5Fe)2 by Materials Project
UFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Fe and sixteen Al atoms. All U–Fe bond lengths are 3.41 Å. There are a spread of U–Al bond distances ranging from 3.10–3.60 Å. Fe is bonded in a 10-coordinate geometry to two equivalent U and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.52–2.70 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one U, two equivalent Fe, and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–3.00 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to one U, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.58–2.80 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.79 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. Both Al–Al bond lengths are 2.68 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al 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:
- 1195679
- Report Number(s):
- mp-20548
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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