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

Abstract

LuMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.64 Å) and six longer (2.98 Å) Lu–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Lu3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Lu3+ and four equivalent Mo+2.17+ atoms.

Publication Date:
Other Number(s):
mp-1104347
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; Lu(Mo3S4)2; Lu-Mo-S
OSTI Identifier:
1662314
DOI:
https://doi.org/10.17188/1662314

Citation Formats

The Materials Project. Materials Data on Lu(Mo3S4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662314.
The Materials Project. Materials Data on Lu(Mo3S4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662314
The Materials Project. 2020. "Materials Data on Lu(Mo3S4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662314. https://www.osti.gov/servlets/purl/1662314. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1662314,
title = {Materials Data on Lu(Mo3S4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LuMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.64 Å) and six longer (2.98 Å) Lu–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Lu3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Lu3+ and four equivalent Mo+2.17+ atoms.},
doi = {10.17188/1662314},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}