DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on DyTlSe2 by Materials Project

Abstract

DyTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent DySe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Dy–Se bond lengths are 2.89 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent DySe6 octahedra, edges with six equivalent DySe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–Se bond lengths are 3.34 Å. Se2- is bonded to three equivalent Dy3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeDy3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-568062
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; DyTlSe2; Dy-Se-Tl
OSTI Identifier:
1274230
DOI:
https://doi.org/10.17188/1274230

Citation Formats

The Materials Project. Materials Data on DyTlSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274230.
The Materials Project. Materials Data on DyTlSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1274230
The Materials Project. 2020. "Materials Data on DyTlSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1274230. https://www.osti.gov/servlets/purl/1274230. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274230,
title = {Materials Data on DyTlSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyTlSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent DySe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Dy–Se bond lengths are 2.89 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent DySe6 octahedra, edges with six equivalent DySe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–Se bond lengths are 3.34 Å. Se2- is bonded to three equivalent Dy3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SeDy3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1274230},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}