Materials Data on Li3Nd by Materials Project
Li3Nd 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 in a body-centered cubic geometry to four equivalent Li and four equivalent Nd atoms. All Li–Li bond lengths are 3.18 Å. All Li–Nd bond lengths are 3.18 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Nd atoms. All Li–Nd bond lengths are 3.67 Å. Nd 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:
- 1315073
- Report Number(s):
- mp-976264
- Country of Publication:
- United States
- Language:
- English
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