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Title: Materials Data on FeNi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1197364· OSTI ID:1197364

NiFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe and eight equivalent Ni atoms to form FeFe4Ni8 cuboctahedra that share corners with twelve equivalent FeFe4Ni8 cuboctahedra, edges with eight equivalent FeFe4Ni8 cuboctahedra, edges with sixteen equivalent NiFe8Ni4 cuboctahedra, faces with eight equivalent NiFe8Ni4 cuboctahedra, and faces with ten equivalent FeFe4Ni8 cuboctahedra. All Fe–Fe bond lengths are 2.51 Å. All Fe–Ni bond lengths are 2.52 Å. Ni is bonded to eight equivalent Fe and four equivalent Ni atoms to form NiFe8Ni4 cuboctahedra that share corners with twelve equivalent NiFe8Ni4 cuboctahedra, edges with eight equivalent NiFe8Ni4 cuboctahedra, edges with sixteen equivalent FeFe4Ni8 cuboctahedra, faces with eight equivalent FeFe4Ni8 cuboctahedra, and faces with ten equivalent NiFe8Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.51 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:
1197364
Report Number(s):
mp-2213
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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