Materials Data on NaAc3 by Materials Project
NaAc3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to fourteen Ac atoms. There are eight shorter (3.85 Å) and six longer (4.45 Å) Na–Ac bond lengths. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Ac atoms. All Ac–Ac bond lengths are 3.85 Å. In the second Ac site, Ac is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Ac 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:
- 1720008
- Report Number(s):
- mp-1186105
- Country of Publication:
- United States
- Language:
- English
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