U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiS by Materials Project
Abstract
TiS is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–S bond lengths are 2.48 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi6 pentagonal pyramids.
- Publication Date:
- Other Number(s):
- mp-554462
- 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-Ti; TiS; crystal structure
- OSTI Identifier:
- 1267911
- DOI:
- https://doi.org/10.17188/1267911
Citation Formats
Materials Data on TiS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267911.
Materials Data on TiS by Materials Project. United States. doi:https://doi.org/10.17188/1267911
2020.
"Materials Data on TiS by Materials Project". United States. doi:https://doi.org/10.17188/1267911. https://www.osti.gov/servlets/purl/1267911. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1267911,
title = {Materials Data on TiS by Materials Project},
abstractNote = {TiS is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–S bond lengths are 2.48 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi6 pentagonal pyramids.},
doi = {10.17188/1267911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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