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Materials Data on Nb3Ni by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317565· OSTI ID:1317565
Nb3Ni is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Ni atoms. All Nb–Nb bond lengths are 2.78 Å. All Nb–Ni bond lengths are 3.21 Å. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Ni atoms. All Nb–Ni bond lengths are 2.78 Å. Ni is bonded in a distorted body-centered cubic geometry to fourteen Nb 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:
1317565
Report Number(s):
mp-999396
Country of Publication:
United States
Language:
English

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