U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si4MoW by Materials Project
Abstract
MoSi2(WSi2) crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. W2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.63 Å) and two longer (2.64 Å) W–Si bond lengths. Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.62 Å) and two longer (2.63 Å) Mo–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to one W2+, four equivalent Mo6+, and five Si2- atoms. There are one shorter (2.59 Å) and four longer (2.64 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to four equivalent W2+, one Mo6+, and five Si2- atoms. The Si–Si bond length is 2.61 Å.
- Publication Date:
- Other Number(s):
- mp-1219237
- 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-W; Si4MoW; crystal structure
- OSTI Identifier:
- 1722024
- DOI:
- https://doi.org/10.17188/1722024
Citation Formats
Materials Data on Si4MoW by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722024.
Materials Data on Si4MoW by Materials Project. United States. doi:https://doi.org/10.17188/1722024
2020.
"Materials Data on Si4MoW by Materials Project". United States. doi:https://doi.org/10.17188/1722024. https://www.osti.gov/servlets/purl/1722024. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722024,
title = {Materials Data on Si4MoW by Materials Project},
abstractNote = {MoSi2(WSi2) crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. W2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.63 Å) and two longer (2.64 Å) W–Si bond lengths. Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are eight shorter (2.62 Å) and two longer (2.63 Å) Mo–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to one W2+, four equivalent Mo6+, and five Si2- atoms. There are one shorter (2.59 Å) and four longer (2.64 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to four equivalent W2+, one Mo6+, and five Si2- atoms. The Si–Si bond length is 2.61 Å.},
doi = {10.17188/1722024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}