U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl3SbSe3 by Materials Project
Abstract
Tl3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.24 Å) and three longer (3.66 Å) Tl–Se bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.21 Å) and three longer (3.80 Å) Tl–Se bond lengths. In the third Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.20 Å) and three longer (3.66 Å) Tl–Se bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.62 Å. Se2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sb3+ atom.
- Publication Date:
- Other Number(s):
- mp-4876
- 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; Sb-Se-Tl; Tl3SbSe3; crystal structure
- OSTI Identifier:
- 1208458
- DOI:
- https://doi.org/10.17188/1208458
Citation Formats
Materials Data on Tl3SbSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208458.
Materials Data on Tl3SbSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1208458
2020.
"Materials Data on Tl3SbSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1208458. https://www.osti.gov/servlets/purl/1208458. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1208458,
title = {Materials Data on Tl3SbSe3 by Materials Project},
abstractNote = {Tl3SbSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.24 Å) and three longer (3.66 Å) Tl–Se bond lengths. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.21 Å) and three longer (3.80 Å) Tl–Se bond lengths. In the third Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.20 Å) and three longer (3.66 Å) Tl–Se bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Sb–Se bond lengths are 2.62 Å. Se2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sb3+ atom.},
doi = {10.17188/1208458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}