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Materials Data on Na3Si by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1740309· OSTI ID:1740309
Na3Si is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing NaNa4Si4 tetrahedra. All Na–Na bond lengths are 3.17 Å. All Na–Si bond lengths are 3.17 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Si is bonded in a body-centered cubic geometry to eight equivalent 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:
1740309
Report Number(s):
mp-1186079
Country of Publication:
United States
Language:
English

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