U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiS3 by Materials Project
Abstract
TiS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TiS3 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of Ti–S bond distances ranging from 2.47–2.67 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 2-coordinate geometry to two equivalent Ti2+ atoms. In the second S+0.67- site, S+0.67- is bonded to four equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi4 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-9920
- 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; TiS3; crystal structure
- OSTI Identifier:
- 1316982
- DOI:
- https://doi.org/10.17188/1316982
Citation Formats
Materials Data on TiS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316982.
Materials Data on TiS3 by Materials Project. United States. doi:https://doi.org/10.17188/1316982
2020.
"Materials Data on TiS3 by Materials Project". United States. doi:https://doi.org/10.17188/1316982. https://www.osti.gov/servlets/purl/1316982. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316982,
title = {Materials Data on TiS3 by Materials Project},
abstractNote = {TiS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TiS3 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of Ti–S bond distances ranging from 2.47–2.67 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 2-coordinate geometry to two equivalent Ti2+ atoms. In the second S+0.67- site, S+0.67- is bonded to four equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi4 trigonal pyramids.},
doi = {10.17188/1316982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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