Materials Data on Li3Nb by Materials Project
Li3Nb 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 Nb atoms to form a mixture of distorted edge, corner, and face-sharing LiLi4Nb4 tetrahedra. All Li–Li bond lengths are 2.75 Å. All Li–Nb bond lengths are 2.75 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Nb atoms. All Li–Nb bond lengths are 3.18 Å. Nb is bonded in a distorted body-centered cubic geometry to fourteen Li 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:
- 1752144
- Report Number(s):
- mp-1185184
- Country of Publication:
- United States
- Language:
- English
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