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Title: Materials Data on Yb2S3 by Materials Project

Abstract

Yb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to eight S2- atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.78–3.25 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.86–2.97 Å. In the third Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.79–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Yb3+ and one S2- atom. The S–S bond length is 2.13 Å. In the second S2- site, S2- is bonded to six Yb3+ atoms to form a mixture of distorted edge, face, and corner-sharing SYb6 octahedra. The corner-sharing octahedra tilt angles range from 25–43°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Yb3+ and one S2- atom. The S–S bond length is 2.11more » Å.« less

Publication Date:
Other Number(s):
mp-684680
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:
1283959
DOI:
10.17188/1283959

Citation Formats

The Materials Project. Materials Data on Yb2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283959.
The Materials Project. Materials Data on Yb2S3 by Materials Project. United States. doi:10.17188/1283959.
The Materials Project. 2020. "Materials Data on Yb2S3 by Materials Project". United States. doi:10.17188/1283959. https://www.osti.gov/servlets/purl/1283959. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1283959,
title = {Materials Data on Yb2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to eight S2- atoms to form a mixture of distorted edge, face, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.78–3.25 Å. In the second Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.86–2.97 Å. In the third Yb3+ site, Yb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Yb–S bond distances ranging from 2.79–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Yb3+ and one S2- atom. The S–S bond length is 2.13 Å. In the second S2- site, S2- is bonded to six Yb3+ atoms to form a mixture of distorted edge, face, and corner-sharing SYb6 octahedra. The corner-sharing octahedra tilt angles range from 25–43°. In the third S2- site, S2- is bonded in a 6-coordinate geometry to five Yb3+ and one S2- atom. The S–S bond length is 2.11 Å.},
doi = {10.17188/1283959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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