U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2S3 by Materials Project
Abstract
TlTl3S4(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules; two thallium molecules; and one Tl3S4 sheet oriented in the (0, 0, 1) direction. In the Tl3S4 sheet, there are three inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a linear geometry to two S2- atoms. Both Tl–S bond lengths are 2.95 Å. In the second Tl3+ site, Tl3+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.09 Å. In the third Tl3+ site, Tl3+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Tl3+ and one S2- atom. The S–S bond length is 2.04 Å. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Tl3+ and one S2- atom. The S–S bond length is 2.04 Å.
- Publication Date:
- Other Number(s):
- mp-1206297
- 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-Tl; Tl2S3; crystal structure
- OSTI Identifier:
- 1756984
- DOI:
- https://doi.org/10.17188/1756984
Citation Formats
Materials Data on Tl2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1756984.
Materials Data on Tl2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1756984
2020.
"Materials Data on Tl2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1756984. https://www.osti.gov/servlets/purl/1756984. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1756984,
title = {Materials Data on Tl2S3 by Materials Project},
abstractNote = {TlTl3S4(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules; two thallium molecules; and one Tl3S4 sheet oriented in the (0, 0, 1) direction. In the Tl3S4 sheet, there are three inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a linear geometry to two S2- atoms. Both Tl–S bond lengths are 2.95 Å. In the second Tl3+ site, Tl3+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.09 Å. In the third Tl3+ site, Tl3+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Tl–S bond lengths are 3.09 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two Tl3+ and one S2- atom. The S–S bond length is 2.04 Å. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Tl3+ and one S2- atom. The S–S bond length is 2.04 Å.},
doi = {10.17188/1756984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}