U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl3BSe3 by Materials Project
Abstract
Tl3BSe3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.19–3.71 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.13–3.79 Å. B3+ is bonded in a trigonal planar geometry to three Se2- atoms. All B–Se bond lengths are 1.97 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to six Tl1+ and one B3+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to six Tl1+ and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-28490
- 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; B-Se-Tl; Tl3BSe3; crystal structure
- OSTI Identifier:
- 1202588
- DOI:
- https://doi.org/10.17188/1202588
Citation Formats
Materials Data on Tl3BSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202588.
Materials Data on Tl3BSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1202588
2020.
"Materials Data on Tl3BSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1202588. https://www.osti.gov/servlets/purl/1202588. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1202588,
title = {Materials Data on Tl3BSe3 by Materials Project},
abstractNote = {Tl3BSe3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.19–3.71 Å. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.13–3.79 Å. B3+ is bonded in a trigonal planar geometry to three Se2- atoms. All B–Se bond lengths are 1.97 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted single-bond geometry to six Tl1+ and one B3+ atom. In the second Se2- site, Se2- is bonded in a distorted single-bond geometry to six Tl1+ and one B3+ atom.},
doi = {10.17188/1202588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}