U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mo3W(Se3S)2 by Materials Project
Abstract
WSe2(MoSe2)2MoS2 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; two MoSe2 sheets oriented in the (0, 0, 1) direction; and one WSe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo+4.67+ 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 Mo+4.67+ atoms. In each MoSe2 sheet, Mo+4.67+ 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 Mo+4.67+ atoms. In the WSe2 sheet, W2+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1027781
- 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; Mo3W(Se3S)2; Mo-S-Se-W
- OSTI Identifier:
- 1405640
- DOI:
- https://doi.org/10.17188/1405640
Citation Formats
The Materials Project. Materials Data on Mo3W(Se3S)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1405640.
The Materials Project. Materials Data on Mo3W(Se3S)2 by Materials Project. United States. doi:https://doi.org/10.17188/1405640
The Materials Project. 2020.
"Materials Data on Mo3W(Se3S)2 by Materials Project". United States. doi:https://doi.org/10.17188/1405640. https://www.osti.gov/servlets/purl/1405640. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1405640,
title = {Materials Data on Mo3W(Se3S)2 by Materials Project},
author = {The Materials Project},
abstractNote = {WSe2(MoSe2)2MoS2 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; two MoSe2 sheets oriented in the (0, 0, 1) direction; and one WSe2 sheet oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo+4.67+ 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 Mo+4.67+ atoms. In each MoSe2 sheet, Mo+4.67+ 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 Mo+4.67+ atoms. In the WSe2 sheet, W2+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.55 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1405640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}