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Materials Data on FeCoB2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1707466· OSTI ID:1707466
FeCoB2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Fe3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.14 Å. Co3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Co–B bond distances ranging from 2.10–2.14 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Fe3+, three equivalent Co3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Fe3+, four equivalent Co3+, and two equivalent B3- atoms.
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:
1707466
Report Number(s):
mp-1224999
Country of Publication:
United States
Language:
English

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