Materials Data on Al6Fe by Materials Project
Al6Fe crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.90 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the third Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent 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:
- 1275410
- Report Number(s):
- mp-570001
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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