U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y5Si3C by Materials Project
Abstract
Y5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Y–Si bond lengths are 3.03 Å. In the second Y3+ site, Y3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Y–Si bond distances ranging from 2.99–3.57 Å. Both Y–C bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to nine Y3+ atoms. C3- is bonded to six equivalent Y3+ atoms to form face-sharing CY6 octahedra.
- Publication Date:
- Other Number(s):
- mp-1188646
- 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; C-Si-Y; Y5Si3C; crystal structure
- OSTI Identifier:
- 1681557
- DOI:
- https://doi.org/10.17188/1681557
Citation Formats
Materials Data on Y5Si3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681557.
Materials Data on Y5Si3C by Materials Project. United States. doi:https://doi.org/10.17188/1681557
2020.
"Materials Data on Y5Si3C by Materials Project". United States. doi:https://doi.org/10.17188/1681557. https://www.osti.gov/servlets/purl/1681557. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1681557,
title = {Materials Data on Y5Si3C by Materials Project},
abstractNote = {Y5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Y–Si bond lengths are 3.03 Å. In the second Y3+ site, Y3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Y–Si bond distances ranging from 2.99–3.57 Å. Both Y–C bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to nine Y3+ atoms. C3- is bonded to six equivalent Y3+ atoms to form face-sharing CY6 octahedra.},
doi = {10.17188/1681557},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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