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Title: Materials Data on YbSiAu by Materials Project

Abstract

YbAuSi crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are two shorter (3.00 Å) and four longer (3.13 Å) Yb–Au bond lengths. There are two shorter (3.08 Å) and four longer (3.32 Å) Yb–Si bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are four shorter (3.11 Å) and two longer (3.26 Å) Yb–Au bond lengths. There are four shorter (3.00 Å) and two longer (3.19 Å) Yb–Si bond lengths. Au1+ is bonded in a 10-coordinate geometry to six Yb3+ and three equivalent Si4- atoms. There are two shorter (2.59 Å) and one longer (2.63 Å) Au–Si bond lengths. Si4- is bonded in a 3-coordinate geometry to six Yb3+, three equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.53 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10443
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; YbSiAu; Au-Si-Yb
OSTI Identifier:
1187125
DOI:
10.17188/1187125

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YbSiAu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187125.
Persson, Kristin, & Project, Materials. Materials Data on YbSiAu by Materials Project. United States. doi:10.17188/1187125.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YbSiAu by Materials Project". United States. doi:10.17188/1187125. https://www.osti.gov/servlets/purl/1187125. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187125,
title = {Materials Data on YbSiAu by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YbAuSi crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are two shorter (3.00 Å) and four longer (3.13 Å) Yb–Au bond lengths. There are two shorter (3.08 Å) and four longer (3.32 Å) Yb–Si bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are four shorter (3.11 Å) and two longer (3.26 Å) Yb–Au bond lengths. There are four shorter (3.00 Å) and two longer (3.19 Å) Yb–Si bond lengths. Au1+ is bonded in a 10-coordinate geometry to six Yb3+ and three equivalent Si4- atoms. There are two shorter (2.59 Å) and one longer (2.63 Å) Au–Si bond lengths. Si4- is bonded in a 3-coordinate geometry to six Yb3+, three equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.53 Å.},
doi = {10.17188/1187125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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