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Title: Materials Data on Na3Ca by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315496· OSTI ID:1315496

Na3Ca 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 in a body-centered cubic geometry to four equivalent Na and four equivalent Ca atoms. All Na–Na bond lengths are 3.67 Å. All Na–Ca bond lengths are 3.67 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Ca is bonded in a body-centered cubic geometry to eight 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:
1315496
Report Number(s):
mp-977062
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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