Materials Data on NaTb3 by Materials Project
NaTb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Tb atoms. There are eight shorter (3.46 Å) and six longer (3.99 Å) Na–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Tb atoms. All Tb–Tb bond lengths are 3.46 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Tb 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:
- 1739614
- Report Number(s):
- mp-1186178
- Country of Publication:
- United States
- Language:
- English
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