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Title: Materials Data on Yb(Mo3S4)2 by Materials Project

Abstract

YbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.73 Å) and six longer (3.07 Å) Yb–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Yb3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Yb3+ and four equivalent Mo+2.17+ atoms.

Publication Date:
Other Number(s):
mp-2945
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; Yb(Mo3S4)2; Mo-S-Yb
OSTI Identifier:
1203839
DOI:
https://doi.org/10.17188/1203839

Citation Formats

The Materials Project. Materials Data on Yb(Mo3S4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203839.
The Materials Project. Materials Data on Yb(Mo3S4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203839
The Materials Project. 2020. "Materials Data on Yb(Mo3S4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203839. https://www.osti.gov/servlets/purl/1203839. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203839,
title = {Materials Data on Yb(Mo3S4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.73 Å) and six longer (3.07 Å) Yb–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Yb3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Yb3+ and four equivalent Mo+2.17+ atoms.},
doi = {10.17188/1203839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}