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Materials Data on TbFe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277164· OSTI ID:1277164
TbFe2 is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are nine shorter (3.02 Å) and three longer (3.04 Å) Tb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Tb and six equivalent Fe atoms to form a mixture of edge, corner, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å. In the second Fe site, Fe is bonded to six equivalent Tb and six Fe atoms to form a mixture of edge, corner, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1277164
Report Number(s):
mp-589
Country of Publication:
United States
Language:
English

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