U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl3SbS4 by Materials Project
Abstract
Tl3SbS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.67 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.57 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.46 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.36–2.39 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Tl1+ and one Sb5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Sb5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Sb5+ atom. In the fourth S2- site, S2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-8378
- 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; crystal structure; S-Sb-Tl; Tl3SbS4
- OSTI Identifier:
- 1308063
- DOI:
- https://doi.org/10.17188/1308063
Citation Formats
Materials Data on Tl3SbS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308063.
Materials Data on Tl3SbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1308063
2020.
"Materials Data on Tl3SbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1308063. https://www.osti.gov/servlets/purl/1308063. Pub date:Thu Jul 16 20:00:00 EDT 2020
@article{osti_1308063,
title = {Materials Data on Tl3SbS4 by Materials Project},
abstractNote = {Tl3SbS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.67 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.15–3.57 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.46 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.36–2.39 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Tl1+ and one Sb5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four Tl1+ and one Sb5+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to five Tl1+ and one Sb5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to five Tl1+ and one Sb5+ atom.},
doi = {10.17188/1308063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}