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Title: Materials Data on Yb2S3 by Materials Project

Abstract

Yb2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Yb–S bond distances ranging from 2.73–2.85 Å. S2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing SYb4 trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-619061
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; Yb2S3; S-Yb
OSTI Identifier:
1277964
DOI:
10.17188/1277964

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Yb2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277964.
Persson, Kristin, & Project, Materials. Materials Data on Yb2S3 by Materials Project. United States. doi:10.17188/1277964.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Yb2S3 by Materials Project". United States. doi:10.17188/1277964. https://www.osti.gov/servlets/purl/1277964. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1277964,
title = {Materials Data on Yb2S3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Yb2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Yb–S bond distances ranging from 2.73–2.85 Å. S2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing SYb4 trigonal pyramids.},
doi = {10.17188/1277964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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