Materials Data on Na3C by Materials Project
Na3C is alpha bismuth trifluoride 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 to four equivalent Na1+ and four equivalent C3- atoms to form a mixture of corner, edge, and face-sharing NaNa4C4 tetrahedra. All Na–Na bond lengths are 2.89 Å. All Na–C bond lengths are 2.89 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. C3- is bonded in a body-centered cubic geometry to eight equivalent Na1+ 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:
- 1315532
- Report Number(s):
- mp-977200
- Country of Publication:
- United States
- Language:
- English
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