Materials Data on BaSrBi3 by Materials Project
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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