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Title: Materials Data on Yb4S7 by Materials Project

Abstract

Yb4S7 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Yb+2.50+ is bonded in a 8-coordinate geometry to eight S+1.43- atoms. There are a spread of Yb–S bond distances ranging from 2.76–2.95 Å. There are three inequivalent S+1.43- sites. In the first S+1.43- site, S+1.43- is bonded to five equivalent Yb+2.50+ atoms to form a mixture of distorted corner and edge-sharing SYb5 trigonal bipyramids. In the second S+1.43- site, S+1.43- is bonded in a 8-coordinate geometry to four equivalent Yb+2.50+ and four equivalent S+1.43- atoms. All S–S bond lengths are 2.69 Å. In the third S+1.43- site, S+1.43- is bonded in a 6-coordinate geometry to four equivalent Yb+2.50+ and two equivalent S+1.43- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1215747
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Yb4S7; S-Yb
OSTI Identifier:
1682194
DOI:
https://doi.org/10.17188/1682194

Citation Formats

The Materials Project. Materials Data on Yb4S7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682194.
The Materials Project. Materials Data on Yb4S7 by Materials Project. United States. doi:https://doi.org/10.17188/1682194
The Materials Project. 2020. "Materials Data on Yb4S7 by Materials Project". United States. doi:https://doi.org/10.17188/1682194. https://www.osti.gov/servlets/purl/1682194. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1682194,
title = {Materials Data on Yb4S7 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb4S7 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Yb+2.50+ is bonded in a 8-coordinate geometry to eight S+1.43- atoms. There are a spread of Yb–S bond distances ranging from 2.76–2.95 Å. There are three inequivalent S+1.43- sites. In the first S+1.43- site, S+1.43- is bonded to five equivalent Yb+2.50+ atoms to form a mixture of distorted corner and edge-sharing SYb5 trigonal bipyramids. In the second S+1.43- site, S+1.43- is bonded in a 8-coordinate geometry to four equivalent Yb+2.50+ and four equivalent S+1.43- atoms. All S–S bond lengths are 2.69 Å. In the third S+1.43- site, S+1.43- is bonded in a 6-coordinate geometry to four equivalent Yb+2.50+ and two equivalent S+1.43- atoms.},
doi = {10.17188/1682194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}