U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrTlSe2 by Materials Project
Abstract
TlPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Se2- atoms to form PrSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent PrSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Pr–Se bond lengths are 3.00 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent PrSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-999289
- 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; Pr-Se-Tl; PrTlSe2; crystal structure
- OSTI Identifier:
- 1317528
- DOI:
- https://doi.org/10.17188/1317528
Citation Formats
Materials Data on PrTlSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317528.
Materials Data on PrTlSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317528
2020.
"Materials Data on PrTlSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317528. https://www.osti.gov/servlets/purl/1317528. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1317528,
title = {Materials Data on PrTlSe2 by Materials Project},
abstractNote = {TlPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Se2- atoms to form PrSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent PrSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Pr–Se bond lengths are 3.00 Å. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent PrSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Se bond lengths are 3.37 Å. Se2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}