U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y5Si4 by Materials Project
Abstract
Y5Si4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Y–Si bond distances ranging from 2.95–3.44 Å. In the second Y site, Y is bonded to six Si atoms to form a mixture of distorted face, edge, and corner-sharing YSi6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Y–Si bond distances ranging from 3.05–3.14 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Y–Si bond distances ranging from 2.85–3.02 Å. In the fourth Y site, Y is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Y–Si bond distances ranging from 2.83–3.03 Å. In the fifth Y site, Y is bonded to six Si atoms to form a mixture of distorted face and corner-sharing YSi6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of Y–Si bond distances ranging from 2.93–3.20 Å. There are four inequivalent Si sites. In the first Si site,more »
- Publication Date:
- Other Number(s):
- mp-1198133
- 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; crystal structure; Si-Y; Y5Si4
- OSTI Identifier:
- 1743775
- DOI:
- https://doi.org/10.17188/1743775
Citation Formats
Materials Data on Y5Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1743775.
Materials Data on Y5Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1743775
2020.
"Materials Data on Y5Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1743775. https://www.osti.gov/servlets/purl/1743775. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1743775,
title = {Materials Data on Y5Si4 by Materials Project},
abstractNote = {Y5Si4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Y–Si bond distances ranging from 2.95–3.44 Å. In the second Y site, Y is bonded to six Si atoms to form a mixture of distorted face, edge, and corner-sharing YSi6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Y–Si bond distances ranging from 3.05–3.14 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Y–Si bond distances ranging from 2.85–3.02 Å. In the fourth Y site, Y is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Y–Si bond distances ranging from 2.83–3.03 Å. In the fifth Y site, Y is bonded to six Si atoms to form a mixture of distorted face and corner-sharing YSi6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of Y–Si bond distances ranging from 2.93–3.20 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Y and one Si atom. The Si–Si bond length is 2.56 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Y and one Si atom. The Si–Si bond length is 2.49 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Y atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to eight Y and one Si atom.},
doi = {10.17188/1743775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}