U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2SO4 by Materials Project
Abstract
Tl2SO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.81–3.26 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.91–3.43 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Tl1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Tl1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Tl1+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-4112
- 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; O-S-Tl; Tl2SO4; crystal structure
- OSTI Identifier:
- 1207864
- DOI:
- https://doi.org/10.17188/1207864
Citation Formats
Materials Data on Tl2SO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207864.
Materials Data on Tl2SO4 by Materials Project. United States. doi:https://doi.org/10.17188/1207864
2020.
"Materials Data on Tl2SO4 by Materials Project". United States. doi:https://doi.org/10.17188/1207864. https://www.osti.gov/servlets/purl/1207864. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1207864,
title = {Materials Data on Tl2SO4 by Materials Project},
abstractNote = {Tl2SO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tl–O bond distances ranging from 2.81–3.26 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.91–3.43 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Tl1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Tl1+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Tl1+ and one S6+ atom.},
doi = {10.17188/1207864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}