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Title: Materials Data on Yb8Si11 by Materials Project

Abstract

Yb8Si11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Yb+2.50+ sites. In the first Yb+2.50+ site, Yb+2.50+ is bonded to twelve Si+1.82- atoms to form distorted face-sharing YbSi12 cuboctahedra. There are a spread of Yb–Si bond distances ranging from 3.08–3.40 Å. In the second Yb+2.50+ site, Yb+2.50+ is bonded in a 10-coordinate geometry to ten Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.08–3.22 Å. In the third Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.06–3.11 Å. In the fourth Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.00–3.14 Å. In the fifth Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.09 Å. In the sixth Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.10 Å. In the seventh Yb+2.50+ site, Yb+2.50+ is bonded in a 10-coordinate geometrymore » to ten Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.07–3.26 Å. In the eighth Yb+2.50+ site, Yb+2.50+ is bonded in a 10-coordinate geometry to ten Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.07–3.26 Å. There are eleven inequivalent Si+1.82- sites. In the first Si+1.82- site, Si+1.82- is bonded in a 8-coordinate geometry to six Yb+2.50+ and two Si+1.82- atoms. There are one shorter (2.44 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. There are a spread of Si–Si bond distances ranging from 2.38–2.40 Å. In the third Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.39 Å. In the fourth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.39 Å. In the fifth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.39 Å. In the sixth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. There are one shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the seventh Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. The Si–Si bond length is 2.34 Å. In the eighth Si+1.82- site, Si+1.82- is bonded in a 6-coordinate geometry to six Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.38 Å. In the ninth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. The Si–Si bond length is 2.38 Å. In the tenth Si+1.82- site, Si+1.82- is bonded in a 6-coordinate geometry to six Yb+2.50+ and two Si+1.82- atoms. In the eleventh Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-640566
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; Yb8Si11; Si-Yb
OSTI Identifier:
1279950
DOI:
10.17188/1279950

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb8Si11 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1279950.
Persson, Kristin, & Project, Materials. Materials Data on Yb8Si11 by Materials Project. United States. doi:10.17188/1279950.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Yb8Si11 by Materials Project". United States. doi:10.17188/1279950. https://www.osti.gov/servlets/purl/1279950. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1279950,
title = {Materials Data on Yb8Si11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb8Si11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Yb+2.50+ sites. In the first Yb+2.50+ site, Yb+2.50+ is bonded to twelve Si+1.82- atoms to form distorted face-sharing YbSi12 cuboctahedra. There are a spread of Yb–Si bond distances ranging from 3.08–3.40 Å. In the second Yb+2.50+ site, Yb+2.50+ is bonded in a 10-coordinate geometry to ten Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.08–3.22 Å. In the third Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.06–3.11 Å. In the fourth Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.00–3.14 Å. In the fifth Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.09 Å. In the sixth Yb+2.50+ site, Yb+2.50+ is bonded in a 7-coordinate geometry to seven Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.10 Å. In the seventh Yb+2.50+ site, Yb+2.50+ is bonded in a 10-coordinate geometry to ten Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.07–3.26 Å. In the eighth Yb+2.50+ site, Yb+2.50+ is bonded in a 10-coordinate geometry to ten Si+1.82- atoms. There are a spread of Yb–Si bond distances ranging from 3.07–3.26 Å. There are eleven inequivalent Si+1.82- sites. In the first Si+1.82- site, Si+1.82- is bonded in a 8-coordinate geometry to six Yb+2.50+ and two Si+1.82- atoms. There are one shorter (2.44 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. There are a spread of Si–Si bond distances ranging from 2.38–2.40 Å. In the third Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.39 Å. In the fourth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.39 Å. In the fifth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.39 Å. In the sixth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. There are one shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the seventh Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. The Si–Si bond length is 2.34 Å. In the eighth Si+1.82- site, Si+1.82- is bonded in a 6-coordinate geometry to six Yb+2.50+ and two Si+1.82- atoms. The Si–Si bond length is 2.38 Å. In the ninth Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to six Yb+2.50+ and three Si+1.82- atoms. The Si–Si bond length is 2.38 Å. In the tenth Si+1.82- site, Si+1.82- is bonded in a 6-coordinate geometry to six Yb+2.50+ and two Si+1.82- atoms. In the eleventh Si+1.82- site, Si+1.82- is bonded in a 9-coordinate geometry to seven Yb+2.50+ and two Si+1.82- atoms.},
doi = {10.17188/1279950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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