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Title: Materials Data on NaBi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313973· OSTI ID:1313973

NaBi3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing NaBi12 cuboctahedra. There are six shorter (3.51 Å) and six longer (3.52 Å) Na–Bi bond lengths. Bi is bonded in a distorted see-saw-like geometry to four equivalent Na atoms.

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:
1313973
Report Number(s):
mp-972941
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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