U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YSi2 by Materials Project
Abstract
YSi2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first 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 2.83–3.04 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Y–Si bond distances ranging from 2.89–3.22 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to eight Si atoms. There are a spread of Y–Si bond distances ranging from 2.85–3.30 Å. In the fourth 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 3.00–3.56 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four Y and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.30–2.54 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to four Y and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.24–2.45 Å. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216212
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; YSi2; Si-Y
- OSTI Identifier:
- 1725136
- DOI:
- https://doi.org/10.17188/1725136
Citation Formats
The Materials Project. Materials Data on YSi2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1725136.
The Materials Project. Materials Data on YSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1725136
The Materials Project. 2019.
"Materials Data on YSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1725136. https://www.osti.gov/servlets/purl/1725136. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1725136,
title = {Materials Data on YSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {YSi2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first 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 2.83–3.04 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Y–Si bond distances ranging from 2.89–3.22 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to eight Si atoms. There are a spread of Y–Si bond distances ranging from 2.85–3.30 Å. In the fourth 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 3.00–3.56 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to four Y and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.30–2.54 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to four Y and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.24–2.45 Å. In the third Si site, Si is bonded to four Y and two Si atoms to form distorted edge-sharing SiY4Si2 octahedra. There are one shorter (2.48 Å) and one longer (2.50 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six Y and three Si atoms. The Si–Si bond length is 2.61 Å. In the fifth Si site, Si is bonded in a 6-coordinate geometry to four Y and two Si atoms. In the sixth Si site, Si is bonded in a 7-coordinate geometry to four Y and three Si atoms. The Si–Si bond length is 2.51 Å. In the seventh Si site, Si is bonded in a 2-coordinate geometry to two equivalent Y and two Si atoms. In the eighth Si site, Si is bonded in a 8-coordinate geometry to six Y and two Si atoms.},
doi = {10.17188/1725136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}