U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu15Si4 by Materials Project
Abstract
Cu15Si4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Cu+1.07+ sites. In the first Cu+1.07+ site, Cu+1.07+ is bonded in a 12-coordinate geometry to eight equivalent Cu+1.07+ and four equivalent Si4- atoms. There are four shorter (2.49 Å) and four longer (2.59 Å) Cu–Cu bond lengths. All Cu–Si bond lengths are 2.62 Å. In the second Cu+1.07+ site, Cu+1.07+ is bonded in a 9-coordinate geometry to six Cu+1.07+ and three equivalent Si4- atoms. There are two shorter (2.49 Å) and two longer (2.57 Å) Cu–Cu bond lengths. There are a spread of Cu–Si bond distances ranging from 2.43–2.58 Å. Si4- is bonded to twelve Cu+1.07+ atoms to form a mixture of face and edge-sharing SiCu12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-14266
- 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; crystal structure; Cu-Si; Cu15Si4
- OSTI Identifier:
- 1190588
- DOI:
- https://doi.org/10.17188/1190588
Citation Formats
Materials Data on Cu15Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190588.
Materials Data on Cu15Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1190588
2020.
"Materials Data on Cu15Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1190588. https://www.osti.gov/servlets/purl/1190588. Pub date:Sun Jul 19 20:00:00 EDT 2020
@article{osti_1190588,
title = {Materials Data on Cu15Si4 by Materials Project},
abstractNote = {Cu15Si4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Cu+1.07+ sites. In the first Cu+1.07+ site, Cu+1.07+ is bonded in a 12-coordinate geometry to eight equivalent Cu+1.07+ and four equivalent Si4- atoms. There are four shorter (2.49 Å) and four longer (2.59 Å) Cu–Cu bond lengths. All Cu–Si bond lengths are 2.62 Å. In the second Cu+1.07+ site, Cu+1.07+ is bonded in a 9-coordinate geometry to six Cu+1.07+ and three equivalent Si4- atoms. There are two shorter (2.49 Å) and two longer (2.57 Å) Cu–Cu bond lengths. There are a spread of Cu–Si bond distances ranging from 2.43–2.58 Å. Si4- is bonded to twelve Cu+1.07+ atoms to form a mixture of face and edge-sharing SiCu12 cuboctahedra.},
doi = {10.17188/1190588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}