U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrTlTe2 by Materials Project
Abstract
PrTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Pr–Te bond lengths are 3.22 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent PrTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.52 Å. Te2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-999288
- 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-Te-Tl; PrTlTe2; crystal structure
- OSTI Identifier:
- 1317527
- DOI:
- https://doi.org/10.17188/1317527
Citation Formats
Materials Data on PrTlTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317527.
Materials Data on PrTlTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317527
2020.
"Materials Data on PrTlTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317527. https://www.osti.gov/servlets/purl/1317527. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1317527,
title = {Materials Data on PrTlTe2 by Materials Project},
abstractNote = {PrTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Pr–Te bond lengths are 3.22 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent PrTe6 octahedra, edges with six equivalent PrTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.52 Å. Te2- is bonded to three equivalent Pr3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TePr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}