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Materials Data on Ce5(FeB3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1666724· OSTI ID:1666724
Ce5(FeB3)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a linear geometry to two equivalent Fe atoms. Both Ce–Fe bond lengths are 2.79 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent B atoms. All Ce–B bond lengths are 2.72 Å. In the third Ce site, Ce is bonded in a 12-coordinate geometry to six equivalent B atoms. All Ce–B bond lengths are 2.70 Å. Fe is bonded in a 7-coordinate geometry to one Ce and six equivalent B atoms. All Fe–B bond lengths are 2.14 Å. B is bonded in a 9-coordinate geometry to four Ce, two equivalent Fe, and three equivalent B atoms. There is two shorter (1.76 Å) and one longer (1.79 Å) B–B bond length.
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:
1666724
Report Number(s):
mp-1105171
Country of Publication:
United States
Language:
English

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