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Title: Materials Data on YTlS2 by Materials Project

Abstract

YTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Y–S bond lengths are 2.77 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent YS6 octahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.26 Å. S2- is bonded to three equivalent Y3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing SY3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1066131
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; YTlS2; S-Tl-Y
OSTI Identifier:
1736381
DOI:
https://doi.org/10.17188/1736381

Citation Formats

The Materials Project. Materials Data on YTlS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736381.
The Materials Project. Materials Data on YTlS2 by Materials Project. United States. doi:https://doi.org/10.17188/1736381
The Materials Project. 2020. "Materials Data on YTlS2 by Materials Project". United States. doi:https://doi.org/10.17188/1736381. https://www.osti.gov/servlets/purl/1736381. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1736381,
title = {Materials Data on YTlS2 by Materials Project},
author = {The Materials Project},
abstractNote = {YTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent S2- atoms to form YS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Y–S bond lengths are 2.77 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent YS6 octahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.26 Å. S2- is bonded to three equivalent Y3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing SY3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1736381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}