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Materials Data on Na3Bi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202016· OSTI ID:1202016
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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