U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2S2O3 by Materials Project
Abstract
Tl2S2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules and one Tl2SO3 framework. In the Tl2SO3 framework, there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 3.08–3.25 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.79–3.42 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Tl1+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four Tl1+ and one S2+ atom.
- Publication Date:
- Other Number(s):
- mp-1208247
- 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; O-S-Tl; Tl2S2O3
- OSTI Identifier:
- 1738378
- DOI:
- https://doi.org/10.17188/1738378
Citation Formats
Materials Data on Tl2S2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738378.
Materials Data on Tl2S2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1738378
2020.
"Materials Data on Tl2S2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1738378. https://www.osti.gov/servlets/purl/1738378. Pub date:Thu Apr 30 20:00:00 EDT 2020
@article{osti_1738378,
title = {Materials Data on Tl2S2O3 by Materials Project},
abstractNote = {Tl2S2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules and one Tl2SO3 framework. In the Tl2SO3 framework, there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 3.08–3.25 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.79–3.42 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Tl1+ and one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four Tl1+ and one S2+ atom.},
doi = {10.17188/1738378},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}