Materials Data on NaDy3 by Materials Project
NaDy3 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 Dy atoms. There are eight shorter (3.45 Å) and six longer (3.98 Å) Na–Dy bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Dy atoms. All Dy–Dy bond lengths are 3.45 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Dy 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:
- 1749597
- Report Number(s):
- mp-1186131
- Country of Publication:
- United States
- Language:
- English
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