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Title: Materials Data on YbSi2 by Materials Project

Abstract

YbSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb is bonded to twelve Si atoms to form a mixture of edge and face-sharing YbSi12 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.19 Å) Yb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are two shorter (3.08 Å) and four longer (3.19 Å) Si–Yb bond lengths. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths.

Publication Date:
Other Number(s):
mp-1077404
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YbSi2; Si-Yb
OSTI Identifier:
1679421
DOI:
https://doi.org/10.17188/1679421

Citation Formats

The Materials Project. Materials Data on YbSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679421.
The Materials Project. Materials Data on YbSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1679421
The Materials Project. 2020. "Materials Data on YbSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1679421. https://www.osti.gov/servlets/purl/1679421. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1679421,
title = {Materials Data on YbSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb is bonded to twelve Si atoms to form a mixture of edge and face-sharing YbSi12 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.19 Å) Yb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are two shorter (3.08 Å) and four longer (3.19 Å) Si–Yb bond lengths. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Si atoms. There are one shorter (2.28 Å) and two longer (2.38 Å) Si–Si bond lengths.},
doi = {10.17188/1679421},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}