U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb5(CuSi)4 by Materials Project
Abstract
Nb5Cu4Si4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb+2.40+ sites. In the first Nb+2.40+ site, Nb+2.40+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Nb–Si bond lengths are 2.66 Å. In the second Nb+2.40+ site, Nb+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.61–2.79 Å. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- atoms. There are two shorter (2.34 Å) and one longer (2.38 Å) Cu–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to six Nb+2.40+ and three equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-13967
- 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; Cu-Nb-Si; Nb5(CuSi)4; crystal structure
- OSTI Identifier:
- 1189846
- DOI:
- https://doi.org/10.17188/1189846
Citation Formats
Materials Data on Nb5(CuSi)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189846.
Materials Data on Nb5(CuSi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1189846
2020.
"Materials Data on Nb5(CuSi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1189846. https://www.osti.gov/servlets/purl/1189846. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1189846,
title = {Materials Data on Nb5(CuSi)4 by Materials Project},
abstractNote = {Nb5Cu4Si4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb+2.40+ sites. In the first Nb+2.40+ site, Nb+2.40+ is bonded in a square co-planar geometry to four equivalent Si4- atoms. All Nb–Si bond lengths are 2.66 Å. In the second Nb+2.40+ site, Nb+2.40+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.61–2.79 Å. Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- atoms. There are two shorter (2.34 Å) and one longer (2.38 Å) Cu–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to six Nb+2.40+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1189846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}