U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te6Mo3WSe2 by Materials Project
Abstract
(MoTe2)3WSe2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoTe2 sheets oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In each MoTe2 sheet, Mo+4.67+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.73 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the WSe2 sheet, W2+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.59 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent W2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1030327
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mo-Se-Te-W; Te6Mo3WSe2; crystal structure
- OSTI Identifier:
- 1405973
- DOI:
- https://doi.org/10.17188/1405973
Citation Formats
Materials Data on Te6Mo3WSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1405973.
Materials Data on Te6Mo3WSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1405973
2020.
"Materials Data on Te6Mo3WSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1405973. https://www.osti.gov/servlets/purl/1405973. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1405973,
title = {Materials Data on Te6Mo3WSe2 by Materials Project},
abstractNote = {(MoTe2)3WSe2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoTe2 sheets oriented in the (0, 0, 1) direction and one WSe2 sheet oriented in the (0, 0, 1) direction. In each MoTe2 sheet, Mo+4.67+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.73 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the WSe2 sheet, W2+ is bonded to six Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.59 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted T-shaped geometry to three equivalent W2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1405973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}