Materials Data on Li3Bi by Materials Project
Li3Bi is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li and four equivalent Bi atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Bi4 tetrahedra. All Li–Li bond lengths are 2.92 Å. All Li–Bi bond lengths are 2.92 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Bi atoms. All Li–Bi bond lengths are 3.37 Å. Bi is bonded in a body-centered cubic geometry to fourteen Li 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:
- 1199341
- Report Number(s):
- mp-23222
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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