U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErTlTe2 by Materials Project
Abstract
ErTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent ErTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Er–Te bond lengths are 3.09 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent ErTe6 octahedra, edges with six equivalent ErTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Er3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeEr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1007907
- 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; crystal structure; Er-Te-Tl; ErTlTe2
- OSTI Identifier:
- 1324754
- DOI:
- https://doi.org/10.17188/1324754
Citation Formats
Materials Data on ErTlTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1324754.
Materials Data on ErTlTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1324754
2020.
"Materials Data on ErTlTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1324754. https://www.osti.gov/servlets/purl/1324754. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1324754,
title = {Materials Data on ErTlTe2 by Materials Project},
abstractNote = {ErTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent ErTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Er–Te bond lengths are 3.09 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent ErTe6 octahedra, edges with six equivalent ErTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Er3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeEr3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1324754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}