U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si3Mo by Materials Project
Abstract
MoSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of corner and face-sharing MoSi12 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.81 Å) Mo–Si bond lengths. Si+1.33- is bonded in a 12-coordinate geometry to four equivalent Mo4+ and eight equivalent Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.89 Å.
- Publication Date:
- Other Number(s):
- mp-978525
- 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; Mo-Si; Si3Mo; crystal structure
- OSTI Identifier:
- 1315941
- DOI:
- https://doi.org/10.17188/1315941
Citation Formats
Materials Data on Si3Mo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315941.
Materials Data on Si3Mo by Materials Project. United States. doi:https://doi.org/10.17188/1315941
2020.
"Materials Data on Si3Mo by Materials Project". United States. doi:https://doi.org/10.17188/1315941. https://www.osti.gov/servlets/purl/1315941. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315941,
title = {Materials Data on Si3Mo by Materials Project},
abstractNote = {MoSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of corner and face-sharing MoSi12 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.81 Å) Mo–Si bond lengths. Si+1.33- is bonded in a 12-coordinate geometry to four equivalent Mo4+ and eight equivalent Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.89 Å.},
doi = {10.17188/1315941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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