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Title: Materials Data on YSi3Ni by Materials Project

Abstract

YNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Y–Si bond distances ranging from 2.98–3.10 Å. Ni1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are three shorter (2.27 Å) and two longer (2.28 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.79 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Y3+, one Ni1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10284
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; YSi3Ni; Ni-Si-Y
OSTI Identifier:
1186875
DOI:
10.17188/1186875

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on YSi3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186875.
Persson, Kristin, & Project, Materials. Materials Data on YSi3Ni by Materials Project. United States. doi:10.17188/1186875.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on YSi3Ni by Materials Project". United States. doi:10.17188/1186875. https://www.osti.gov/servlets/purl/1186875. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1186875,
title = {Materials Data on YSi3Ni by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {YNiSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Y–Si bond distances ranging from 2.98–3.10 Å. Ni1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are three shorter (2.27 Å) and two longer (2.28 Å) Ni–Si bond lengths. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.79 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Y3+, one Ni1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Y3+, two equivalent Ni1+, and five Si+1.33- atoms. The Si–Si bond length is 2.36 Å.},
doi = {10.17188/1186875},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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