U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TaS3 by Materials Project
Abstract
TaS3 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.49–2.79 Å. There are two inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.
- Publication Date:
- Other Number(s):
- mp-1094038
- 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-Ta; TaS3; crystal structure
- OSTI Identifier:
- 1695879
- DOI:
- https://doi.org/10.17188/1695879
Citation Formats
Materials Data on TaS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695879.
Materials Data on TaS3 by Materials Project. United States. doi:https://doi.org/10.17188/1695879
2020.
"Materials Data on TaS3 by Materials Project". United States. doi:https://doi.org/10.17188/1695879. https://www.osti.gov/servlets/purl/1695879. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695879,
title = {Materials Data on TaS3 by Materials Project},
abstractNote = {TaS3 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to nine S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.49–2.79 Å. There are two inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms.},
doi = {10.17188/1695879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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