Materials Data on Zr2Fe by Materials Project
Zr2Fe crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Fe atoms. All Zr–Fe bond lengths are 2.71 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to four equivalent Fe atoms. There are two shorter (2.71 Å) and two longer (3.10 Å) Zr–Fe bond lengths. Fe is bonded in a 9-coordinate geometry to nine Zr 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:
- 1192626
- Report Number(s):
- mp-17682
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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