U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlCuSe2 by Materials Project
Abstract
CuTlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Tl3+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.76 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Tl3+ atoms to form corner-sharing SeTl2Cu2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-14090
- 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; Cu-Se-Tl; TlCuSe2; crystal structure
- OSTI Identifier:
- 1189950
- DOI:
- https://doi.org/10.17188/1189950
Citation Formats
Materials Data on TlCuSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189950.
Materials Data on TlCuSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1189950
2020.
"Materials Data on TlCuSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1189950. https://www.osti.gov/servlets/purl/1189950. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189950,
title = {Materials Data on TlCuSe2 by Materials Project},
abstractNote = {CuTlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent TlSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Tl3+ is bonded to four equivalent Se2- atoms to form TlSe4 tetrahedra that share corners with four equivalent TlSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Tl–Se bond lengths are 2.76 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Tl3+ atoms to form corner-sharing SeTl2Cu2 tetrahedra.},
doi = {10.17188/1189950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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