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Title: Materials Data on NbNi3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317498· OSTI ID:1317498

Ni3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ni atoms to form NbNi12 cuboctahedra that share corners with twelve equivalent NbNi12 cuboctahedra, edges with twenty-four equivalent NiNb4Ni8 cuboctahedra, faces with six equivalent NbNi12 cuboctahedra, and faces with twelve equivalent NiNb4Ni8 cuboctahedra. All Nb–Ni bond lengths are 2.61 Å. Ni is bonded to four equivalent Nb and eight equivalent Ni atoms to form NiNb4Ni8 cuboctahedra that share corners with twelve equivalent NiNb4Ni8 cuboctahedra, edges with eight equivalent NbNi12 cuboctahedra, edges with sixteen equivalent NiNb4Ni8 cuboctahedra, faces with four equivalent NbNi12 cuboctahedra, and faces with fourteen equivalent NiNb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.61 Å.

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:
1317498
Report Number(s):
mp-999188
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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