Materials Data on Na3PaF8 by Materials Project
Na3PaF8 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.45 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.46 Å. Pa5+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Pa–F bond lengths are 2.22 Å. F1- is bonded to three Na1+ and one Pa5+ atom to form a mixture of edge and corner-sharing FNa3Pa 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:
- 1201697
- Report Number(s):
- mp-27478
- Country of Publication:
- United States
- Language:
- English
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