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Title: Materials Data on EuFe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1678559· OSTI ID:1678559

EuFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Eu and twelve Fe atoms. There are one shorter (3.29 Å) and three longer (3.32 Å) Eu–Eu bond lengths. There are three shorter (3.17 Å) and nine longer (3.21 Å) Eu–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Eu and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeEu6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.55 Å. In the second Fe site, Fe is bonded to six equivalent Eu and six Fe atoms to form a mixture of corner, edge, and face-sharing FeEu6Fe6 cuboctahedra. There are two shorter (2.43 Å) and two longer (3.07 Å) Fe–Fe bond lengths.

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:
1678559
Report Number(s):
mp-1101922
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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