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

Abstract

PrMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.83 Å) and six longer (3.06 Å) Pr–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 2.41–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Pr3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent Mo+2.17+ atoms.

Publication Date:
Other Number(s):
mp-1104449
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; Pr(Mo3S4)2; Mo-Pr-S
OSTI Identifier:
1685718
DOI:
https://doi.org/10.17188/1685718

Citation Formats

The Materials Project. Materials Data on Pr(Mo3S4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685718.
The Materials Project. Materials Data on Pr(Mo3S4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685718
The Materials Project. 2020. "Materials Data on Pr(Mo3S4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685718. https://www.osti.gov/servlets/purl/1685718. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685718,
title = {Materials Data on Pr(Mo3S4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.83 Å) and six longer (3.06 Å) Pr–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 2.41–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Pr3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent Mo+2.17+ atoms.},
doi = {10.17188/1685718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}