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Title: Materials Data on Mo2Se3S by Materials Project

Abstract

(MoSe2)3MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and three MoSe2 sheets oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In each MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

Publication Date:
Other Number(s):
mp-1026980
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; Mo2Se3S; Mo-S-Se
OSTI Identifier:
1405363
DOI:
10.17188/1405363

Citation Formats

The Materials Project. Materials Data on Mo2Se3S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405363.
The Materials Project. Materials Data on Mo2Se3S by Materials Project. United States. doi:10.17188/1405363.
The Materials Project. 2020. "Materials Data on Mo2Se3S by Materials Project". United States. doi:10.17188/1405363. https://www.osti.gov/servlets/purl/1405363. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1405363,
title = {Materials Data on Mo2Se3S by Materials Project},
author = {The Materials Project},
abstractNote = {(MoSe2)3MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and three MoSe2 sheets oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.44 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In each MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.},
doi = {10.17188/1405363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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