Materials Data on Be2Fe by Materials Project
FeBe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to six equivalent Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. All Be–Be bond lengths are 2.10 Å. All Be–Fe bond lengths are 2.46 Å. In the second Be site, Be is bonded to six Be and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing BeBe6Fe6 cuboctahedra. There are two shorter (2.05 Å) and two longer (2.14 Å) Be–Be bond lengths. There are two shorter (2.43 Å) and four longer (2.45 Å) Be–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to twelve Be and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.56 Å.
- 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:
- 1197461
- Report Number(s):
- mp-2225
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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