Materials Data on Na3HfF8 by Materials Project
Na3HfF8 is Fluorite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Na–F bond lengths are 2.41 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Na–F bond lengths are 2.41 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent F atoms. All Hf–F bond lengths are 2.12 Å. F is bonded to three Na and one Hf atom to form a mixture of corner and edge-sharing FNa3Hf tetrahedra.
- 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:
- 1310135
- Report Number(s):
- mp-864765
- Country of Publication:
- United States
- Language:
- English
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