U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YSi3 by Materials Project
Abstract
YSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve Si atoms. There are a spread of Y–Si bond distances ranging from 3.01–3.27 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Si atoms. There are four shorter (2.98 Å) and eight longer (3.03 Å) Y–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Y and five Si atoms. There are one shorter (2.48 Å) and four longer (2.58 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four Y and five Si atoms. There are one shorter (2.43 Å) and two longer (2.69 Å) Si–Si bond lengths.
- Publication Date:
- Other Number(s):
- mp-1189560
- 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-Y; YSi3; crystal structure
- OSTI Identifier:
- 1680810
- DOI:
- https://doi.org/10.17188/1680810
Citation Formats
Materials Data on YSi3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680810.
Materials Data on YSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1680810
2020.
"Materials Data on YSi3 by Materials Project". United States. doi:https://doi.org/10.17188/1680810. https://www.osti.gov/servlets/purl/1680810. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680810,
title = {Materials Data on YSi3 by Materials Project},
abstractNote = {YSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to twelve Si atoms. There are a spread of Y–Si bond distances ranging from 3.01–3.27 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Si atoms. There are four shorter (2.98 Å) and eight longer (3.03 Å) Y–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Y and five Si atoms. There are one shorter (2.48 Å) and four longer (2.58 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four Y and five Si atoms. There are one shorter (2.43 Å) and two longer (2.69 Å) Si–Si bond lengths.},
doi = {10.17188/1680810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}