U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbCoSi by Materials Project
Abstract
NbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.66 Å) Nb–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.30–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1095573
- 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; Co-Nb-Si; NbCoSi; crystal structure
- OSTI Identifier:
- 1721886
- DOI:
- https://doi.org/10.17188/1721886
Citation Formats
Materials Data on NbCoSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721886.
Materials Data on NbCoSi by Materials Project. United States. doi:https://doi.org/10.17188/1721886
2020.
"Materials Data on NbCoSi by Materials Project". United States. doi:https://doi.org/10.17188/1721886. https://www.osti.gov/servlets/purl/1721886. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1721886,
title = {Materials Data on NbCoSi by Materials Project},
abstractNote = {NbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.66 Å) Nb–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.30–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co2+ atoms.},
doi = {10.17188/1721886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}