U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeNi3 by Materials Project
Abstract
Ni3Fe is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe is bonded to twelve Ni atoms to form FeNi12 cuboctahedra that share corners with four equivalent FeNi12 cuboctahedra, corners with eight equivalent NiFe4Ni8 cuboctahedra, edges with eight equivalent FeNi12 cuboctahedra, edges with sixteen equivalent NiFe4Ni8 cuboctahedra, faces with four equivalent FeNi12 cuboctahedra, and faces with fourteen NiFe4Ni8 cuboctahedra. All Fe–Ni bond lengths are 2.50 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Fe and eight equivalent Ni atoms to form NiFe4Ni8 cuboctahedra that share corners with four equivalent NiFe4Ni8 cuboctahedra, corners with eight equivalent FeNi12 cuboctahedra, edges with twenty-four NiFe4Ni8 cuboctahedra, faces with six equivalent FeNi12 cuboctahedra, and faces with twelve NiFe4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to four equivalent Fe and eight Ni atoms to form NiFe4Ni8 cuboctahedra that share corners with twelve equivalent NiFe4Ni8 cuboctahedra, edges with eight equivalent FeNi12 cuboctahedra, edges with sixteen NiFe4Ni8 cuboctahedra, faces with four equivalent FeNi12 cuboctahedra, and faces with fourteen NiFe4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å.
- Publication Date:
- Other Number(s):
- mp-1007855
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Fe-Ni; FeNi3; crystal structure
- OSTI Identifier:
- 1324741
- DOI:
- https://doi.org/10.17188/1324741
Citation Formats
Materials Data on FeNi3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1324741.
Materials Data on FeNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1324741
2020.
"Materials Data on FeNi3 by Materials Project". United States. doi:https://doi.org/10.17188/1324741. https://www.osti.gov/servlets/purl/1324741. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1324741,
title = {Materials Data on FeNi3 by Materials Project},
abstractNote = {Ni3Fe is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe is bonded to twelve Ni atoms to form FeNi12 cuboctahedra that share corners with four equivalent FeNi12 cuboctahedra, corners with eight equivalent NiFe4Ni8 cuboctahedra, edges with eight equivalent FeNi12 cuboctahedra, edges with sixteen equivalent NiFe4Ni8 cuboctahedra, faces with four equivalent FeNi12 cuboctahedra, and faces with fourteen NiFe4Ni8 cuboctahedra. All Fe–Ni bond lengths are 2.50 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Fe and eight equivalent Ni atoms to form NiFe4Ni8 cuboctahedra that share corners with four equivalent NiFe4Ni8 cuboctahedra, corners with eight equivalent FeNi12 cuboctahedra, edges with twenty-four NiFe4Ni8 cuboctahedra, faces with six equivalent FeNi12 cuboctahedra, and faces with twelve NiFe4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to four equivalent Fe and eight Ni atoms to form NiFe4Ni8 cuboctahedra that share corners with twelve equivalent NiFe4Ni8 cuboctahedra, edges with eight equivalent FeNi12 cuboctahedra, edges with sixteen NiFe4Ni8 cuboctahedra, faces with four equivalent FeNi12 cuboctahedra, and faces with fourteen NiFe4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å.},
doi = {10.17188/1324741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}