U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YTlSe2 by Materials Project
Abstract
YTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent YSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Y–Se bond lengths are 2.90 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent YSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–Se bond lengths are 3.35 Å. Se2- is bonded to three equivalent Y3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing SeY3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1067744
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; YTlSe2; Se-Tl-Y
- OSTI Identifier:
- 1710119
- DOI:
- https://doi.org/10.17188/1710119
Citation Formats
The Materials Project. Materials Data on YTlSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710119.
The Materials Project. Materials Data on YTlSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1710119
The Materials Project. 2020.
"Materials Data on YTlSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1710119. https://www.osti.gov/servlets/purl/1710119. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1710119,
title = {Materials Data on YTlSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {YTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent YSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Y–Se bond lengths are 2.90 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent YSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–Se bond lengths are 3.35 Å. Se2- is bonded to three equivalent Y3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing SeY3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1710119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}