Materials Data on Na3Bi by Materials Project
Na3Bi is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 1-coordinate geometry to four equivalent Bi atoms. There are one shorter (3.25 Å) and three longer (3.56 Å) Na–Bi bond lengths. In the second Na site, Na is bonded in a trigonal planar geometry to three equivalent Bi atoms. All Na–Bi bond lengths are 3.17 Å. Bi is bonded in a 5-coordinate geometry to eleven Na 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:
- 1202016
- Report Number(s):
- mp-27838
- Country of Publication:
- United States
- Language:
- English
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