U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti3V2Si3 by Materials Project
Abstract
Ti3V2Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ti+2.67+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.56–2.72 Å. V2+ is bonded in a 8-coordinate geometry to two equivalent V2+ and six equivalent Si4- atoms. Both V–V bond lengths are 2.47 Å. All V–Si bond lengths are 2.56 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti+2.67+ and four equivalent V2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1217138
- 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; Si-Ti-V; Ti3V2Si3; crystal structure
- OSTI Identifier:
- 1739064
- DOI:
- https://doi.org/10.17188/1739064
Citation Formats
Materials Data on Ti3V2Si3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1739064.
Materials Data on Ti3V2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1739064
2020.
"Materials Data on Ti3V2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1739064. https://www.osti.gov/servlets/purl/1739064. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1739064,
title = {Materials Data on Ti3V2Si3 by Materials Project},
abstractNote = {Ti3V2Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ti+2.67+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.56–2.72 Å. V2+ is bonded in a 8-coordinate geometry to two equivalent V2+ and six equivalent Si4- atoms. Both V–V bond lengths are 2.47 Å. All V–Si bond lengths are 2.56 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti+2.67+ and four equivalent V2+ atoms.},
doi = {10.17188/1739064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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