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Materials Data on BaSrBi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1719397· OSTI ID:1719397
BaSrBi3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Ba–Bi bond distances ranging from 3.63–3.94 Å. Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.40–3.67 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to two equivalent Ba and four equivalent Sr atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to three equivalent Ba and two equivalent Sr 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:
1719397
Report Number(s):
mp-1214332
Country of Publication:
United States
Language:
English

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