U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbSiPd by Materials Project
Abstract
NbPdSi 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 PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.70–2.78 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.44 Å) and one longer (2.52 Å) Pd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-22722
- 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; Nb-Pd-Si; NbSiPd; crystal structure
- OSTI Identifier:
- 1198926
- DOI:
- https://doi.org/10.17188/1198926
Citation Formats
Materials Data on NbSiPd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198926.
Materials Data on NbSiPd by Materials Project. United States. doi:https://doi.org/10.17188/1198926
2020.
"Materials Data on NbSiPd by Materials Project". United States. doi:https://doi.org/10.17188/1198926. https://www.osti.gov/servlets/purl/1198926. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198926,
title = {Materials Data on NbSiPd by Materials Project},
abstractNote = {NbPdSi 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 PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.70–2.78 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.44 Å) and one longer (2.52 Å) Pd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pd2+ atoms.},
doi = {10.17188/1198926},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}