Materials Data on Ba2Bi by Materials Project
Ba2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. All Ba–Bi bond lengths are 3.74 Å. In the second Ba site, Ba is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.60 Å) and four longer (3.91 Å) Ba–Bi bond lengths. Bi is bonded in a 9-coordinate geometry to nine Ba atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1274090
- Report Number(s):
- mp-567872
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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