U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TeWS by Materials Project
Abstract
WTe2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WS2 sheet oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In the WS2 sheet, W4+ is bonded to six S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1023931
- 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; S-Te-W; TeWS; crystal structure
- OSTI Identifier:
- 1355007
- DOI:
- https://doi.org/10.17188/1355007
Citation Formats
Materials Data on TeWS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355007.
Materials Data on TeWS by Materials Project. United States. doi:https://doi.org/10.17188/1355007
2020.
"Materials Data on TeWS by Materials Project". United States. doi:https://doi.org/10.17188/1355007. https://www.osti.gov/servlets/purl/1355007. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1355007,
title = {Materials Data on TeWS by Materials Project},
abstractNote = {WTe2WS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one WS2 sheet oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In the WS2 sheet, W4+ is bonded to six S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent W4+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the WTe2 sheet, W4+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W4+ atoms.},
doi = {10.17188/1355007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}