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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1189560
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; YSi3; Si-Y
OSTI Identifier:
1680810
DOI:
https://doi.org/10.17188/1680810

Citation Formats

The Materials Project. Materials Data on YSi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680810.
The Materials Project. Materials Data on YSi3 by Materials Project. United States. doi:https://doi.org/10.17188/1680810
The Materials Project. 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},
author = {The 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}
}