U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si4Ni9B2 by Materials Project
Abstract
Ni9B2Si4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Ni+1.78+ sites. In the first Ni+1.78+ site, Ni+1.78+ is bonded in a 6-coordinate geometry to two equivalent B and four equivalent Si4- atoms. Both Ni–B bond lengths are 2.17 Å. There are a spread of Ni–Si bond distances ranging from 2.32–2.59 Å. In the second Ni+1.78+ site, Ni+1.78+ is bonded in a tetrahedral geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.25 Å. B is bonded in a 10-coordinate geometry to eight equivalent Ni+1.78+ and two equivalent B atoms. Both B–B bond lengths are 2.08 Å. Si4- is bonded in a 9-coordinate geometry to nine Ni+1.78+ atoms.
- Publication Date:
- Other Number(s):
- mp-1219289
- 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; B-Ni-Si; Si4Ni9B2; crystal structure
- OSTI Identifier:
- 1680417
- DOI:
- https://doi.org/10.17188/1680417
Citation Formats
Materials Data on Si4Ni9B2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1680417.
Materials Data on Si4Ni9B2 by Materials Project. United States. doi:https://doi.org/10.17188/1680417
2019.
"Materials Data on Si4Ni9B2 by Materials Project". United States. doi:https://doi.org/10.17188/1680417. https://www.osti.gov/servlets/purl/1680417. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1680417,
title = {Materials Data on Si4Ni9B2 by Materials Project},
abstractNote = {Ni9B2Si4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Ni+1.78+ sites. In the first Ni+1.78+ site, Ni+1.78+ is bonded in a 6-coordinate geometry to two equivalent B and four equivalent Si4- atoms. Both Ni–B bond lengths are 2.17 Å. There are a spread of Ni–Si bond distances ranging from 2.32–2.59 Å. In the second Ni+1.78+ site, Ni+1.78+ is bonded in a tetrahedral geometry to four equivalent Si4- atoms. All Ni–Si bond lengths are 2.25 Å. B is bonded in a 10-coordinate geometry to eight equivalent Ni+1.78+ and two equivalent B atoms. Both B–B bond lengths are 2.08 Å. Si4- is bonded in a 9-coordinate geometry to nine Ni+1.78+ atoms.},
doi = {10.17188/1680417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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