U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbFeSi by Materials Project
Abstract
NbFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form NbSi5 trigonal bipyramids that share corners with eight equivalent FeSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent FeSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are four shorter (2.64 Å) and one longer (2.66 Å) Nb–Si bond lengths. Fe2+ is bonded to four equivalent Si4- atoms to form FeSi4 tetrahedra that share corners with eight equivalent FeSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent FeSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Fe–Si bond distances ranging from 2.32–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Fe2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1209887
- 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-Nb-Si; NbFeSi; crystal structure
- OSTI Identifier:
- 1687652
- DOI:
- https://doi.org/10.17188/1687652
Citation Formats
Materials Data on NbFeSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687652.
Materials Data on NbFeSi by Materials Project. United States. doi:https://doi.org/10.17188/1687652
2020.
"Materials Data on NbFeSi by Materials Project". United States. doi:https://doi.org/10.17188/1687652. https://www.osti.gov/servlets/purl/1687652. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1687652,
title = {Materials Data on NbFeSi by Materials Project},
abstractNote = {NbFeSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form NbSi5 trigonal bipyramids that share corners with eight equivalent FeSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent FeSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are four shorter (2.64 Å) and one longer (2.66 Å) Nb–Si bond lengths. Fe2+ is bonded to four equivalent Si4- atoms to form FeSi4 tetrahedra that share corners with eight equivalent FeSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent FeSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Fe–Si bond distances ranging from 2.32–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Fe2+ atoms.},
doi = {10.17188/1687652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}