U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2TeS3 by Materials Project
Abstract
Tl2TeS3 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing TlS6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of Tl–S bond distances ranging from 3.10–3.38 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Tl1+ and one Te4+ atom to form distorted edge-sharing STl4Te square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Te4+ atom.
- Publication Date:
- Other Number(s):
- mp-17172
- 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-Tl; Tl2TeS3; crystal structure
- OSTI Identifier:
- 1192372
- DOI:
- https://doi.org/10.17188/1192372
Citation Formats
Materials Data on Tl2TeS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192372.
Materials Data on Tl2TeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1192372
2020.
"Materials Data on Tl2TeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1192372. https://www.osti.gov/servlets/purl/1192372. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192372,
title = {Materials Data on Tl2TeS3 by Materials Project},
abstractNote = {Tl2TeS3 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing TlS6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of Tl–S bond distances ranging from 3.10–3.38 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Tl1+ and one Te4+ atom to form distorted edge-sharing STl4Te square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Te4+ atom.},
doi = {10.17188/1192372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}