U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te2MoW3(Se2S)2 by Materials Project
Abstract
MoTe2(WSe2)2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoTe2 sheet oriented in the (0, 0, 1) direction; one WS2 sheet oriented in the (0, 0, 1) direction; and two WSe2 sheets oriented in the (0, 0, 1) direction. In the MoTe2 sheet, Mo6+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. There are three shorter (2.70 Å) and three longer (2.71 Å) Mo–Te bond lengths. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms. In each WSe2 sheet, W+3.33+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1028709
- 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; Te2MoW3(Se2S)2; Mo-S-Se-Te-W
- OSTI Identifier:
- 1405700
- DOI:
- https://doi.org/10.17188/1405700
Citation Formats
The Materials Project. Materials Data on Te2MoW3(Se2S)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1405700.
The Materials Project. Materials Data on Te2MoW3(Se2S)2 by Materials Project. United States. doi:https://doi.org/10.17188/1405700
The Materials Project. 2020.
"Materials Data on Te2MoW3(Se2S)2 by Materials Project". United States. doi:https://doi.org/10.17188/1405700. https://www.osti.gov/servlets/purl/1405700. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1405700,
title = {Materials Data on Te2MoW3(Se2S)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoTe2(WSe2)2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoTe2 sheet oriented in the (0, 0, 1) direction; one WS2 sheet oriented in the (0, 0, 1) direction; and two WSe2 sheets oriented in the (0, 0, 1) direction. In the MoTe2 sheet, Mo6+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. There are three shorter (2.70 Å) and three longer (2.71 Å) Mo–Te bond lengths. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo6+ atoms. In the WS2 sheet, W+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms. In each WSe2 sheet, W+3.33+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W+3.33+ atoms.},
doi = {10.17188/1405700},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}