U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl4PbSe3 by Materials Project
Abstract
Tl4PbSe3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Tl1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.04–3.62 Å. Pb2+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.88–3.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Pb2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1195087
- 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; Pb-Se-Tl; Tl4PbSe3; crystal structure
- OSTI Identifier:
- 1707986
- DOI:
- https://doi.org/10.17188/1707986
Citation Formats
Materials Data on Tl4PbSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707986.
Materials Data on Tl4PbSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1707986
2020.
"Materials Data on Tl4PbSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1707986. https://www.osti.gov/servlets/purl/1707986. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1707986,
title = {Materials Data on Tl4PbSe3 by Materials Project},
abstractNote = {Tl4PbSe3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. Tl1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.04–3.62 Å. Pb2+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Pb–Se bond distances ranging from 2.88–3.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and two equivalent Pb2+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to six equivalent Tl1+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1707986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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