U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaTl3(SO3)2 by Materials Project
Abstract
NaTl3(SO3)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. There are two inequivalent Tl+2.33+ sites. In the first Tl+2.33+ site, Tl+2.33+ is bonded in a distorted q6 geometry to nine equivalent O2- atoms. There are six shorter (3.02 Å) and three longer (3.11 Å) Tl–O bond lengths. In the second Tl+2.33+ site, Tl+2.33+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.97 Å. S2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.55 Å. O2- is bonded in a 2-coordinate geometry to one Na1+, four Tl+2.33+, and one S2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-7853
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; NaTl3(SO3)2; Na-O-S-Tl
- OSTI Identifier:
- 1307752
- DOI:
- https://doi.org/10.17188/1307752
Citation Formats
The Materials Project. Materials Data on NaTl3(SO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307752.
The Materials Project. Materials Data on NaTl3(SO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1307752
The Materials Project. 2020.
"Materials Data on NaTl3(SO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1307752. https://www.osti.gov/servlets/purl/1307752. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1307752,
title = {Materials Data on NaTl3(SO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTl3(SO3)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. There are two inequivalent Tl+2.33+ sites. In the first Tl+2.33+ site, Tl+2.33+ is bonded in a distorted q6 geometry to nine equivalent O2- atoms. There are six shorter (3.02 Å) and three longer (3.11 Å) Tl–O bond lengths. In the second Tl+2.33+ site, Tl+2.33+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.97 Å. S2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All S–O bond lengths are 1.55 Å. O2- is bonded in a 2-coordinate geometry to one Na1+, four Tl+2.33+, and one S2+ atom.},
doi = {10.17188/1307752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}