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Title: Materials Data on Sb(MoS)2 by Materials Project

Abstract

Sb(MoS)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mo+3.50+ sites. In the first Mo+3.50+ site, Mo+3.50+ is bonded in a 6-coordinate geometry to two equivalent Sb3- and four S2- atoms. Both Mo–Sb bond lengths are 2.91 Å. There are a spread of Mo–S bond distances ranging from 2.37–2.61 Å. In the second Mo+3.50+ site, Mo+3.50+ is bonded in a 3-coordinate geometry to three equivalent Sb3- and three equivalent S2- atoms. There are one shorter (2.88 Å) and two longer (2.92 Å) Mo–Sb bond lengths. There are two shorter (2.37 Å) and one longer (2.39 Å) Mo–S bond lengths. Sb3- is bonded in a 5-coordinate geometry to five Mo+3.50+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+3.50+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Mo+3.50+ atoms.

Publication Date:
Other Number(s):
mp-11609
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; Sb(MoS)2; Mo-S-Sb
OSTI Identifier:
1188104
DOI:
https://doi.org/10.17188/1188104

Citation Formats

The Materials Project. Materials Data on Sb(MoS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188104.
The Materials Project. Materials Data on Sb(MoS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1188104
The Materials Project. 2020. "Materials Data on Sb(MoS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1188104. https://www.osti.gov/servlets/purl/1188104. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1188104,
title = {Materials Data on Sb(MoS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb(MoS)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mo+3.50+ sites. In the first Mo+3.50+ site, Mo+3.50+ is bonded in a 6-coordinate geometry to two equivalent Sb3- and four S2- atoms. Both Mo–Sb bond lengths are 2.91 Å. There are a spread of Mo–S bond distances ranging from 2.37–2.61 Å. In the second Mo+3.50+ site, Mo+3.50+ is bonded in a 3-coordinate geometry to three equivalent Sb3- and three equivalent S2- atoms. There are one shorter (2.88 Å) and two longer (2.92 Å) Mo–Sb bond lengths. There are two shorter (2.37 Å) and one longer (2.39 Å) Mo–S bond lengths. Sb3- is bonded in a 5-coordinate geometry to five Mo+3.50+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+3.50+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Mo+3.50+ atoms.},
doi = {10.17188/1188104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}