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

Abstract

Sr(Mo3S4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.86 Å) and six longer (3.17 Å) Sr–S bond lengths. Mo+2.33+ 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 2.40–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Mo+2.33+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Sr2+ and four equivalent Mo+2.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-3043
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; Sr(Mo3S4)2; Mo-S-Sr
OSTI Identifier:
1204839
DOI:
https://doi.org/10.17188/1204839

Citation Formats

The Materials Project. Materials Data on Sr(Mo3S4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204839.
The Materials Project. Materials Data on Sr(Mo3S4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204839
The Materials Project. 2020. "Materials Data on Sr(Mo3S4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204839. https://www.osti.gov/servlets/purl/1204839. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204839,
title = {Materials Data on Sr(Mo3S4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(Mo3S4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.86 Å) and six longer (3.17 Å) Sr–S bond lengths. Mo+2.33+ 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 2.40–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Mo+2.33+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Sr2+ and four equivalent Mo+2.33+ atoms.},
doi = {10.17188/1204839},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}