Materials Data on Na2ThF6 by Materials Project
Na2ThF6 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/c 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 F1- atoms. There are a spread of Na–F bond distances ranging from 2.47–2.53 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.46–2.55 Å. Th4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Th–F bond distances ranging from 2.27–2.45 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two Na1+ and two equivalent Th4+ atoms to form a mixture of edge and corner-sharing FNa2Th2 tetrahedra. In the second F1- site, F1- is bonded to three Na1+ and one Th4+ atom to form a mixture of edge and corner-sharing FNa3Th tetrahedra. In the third F1- site, F1- is bonded to three Na1+ and one Th4+ atom to form a mixture of edge and corner-sharing FNa3Th tetrahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1282926
- Report Number(s):
- mp-676074
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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