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

Title: Materials Data on GdTlTe2 by Materials Project

Abstract

TlGdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent Te2- atoms to form GdTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent GdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Gd–Te bond lengths are 3.13 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent GdTe6 octahedra, edges with six equivalent GdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Gd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeGd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1065609
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; GdTlTe2; Gd-Te-Tl
OSTI Identifier:
1731958
DOI:
https://doi.org/10.17188/1731958

Citation Formats

The Materials Project. Materials Data on GdTlTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731958.
The Materials Project. Materials Data on GdTlTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1731958
The Materials Project. 2020. "Materials Data on GdTlTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1731958. https://www.osti.gov/servlets/purl/1731958. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731958,
title = {Materials Data on GdTlTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlGdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent Te2- atoms to form GdTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent GdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Gd–Te bond lengths are 3.13 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent GdTe6 octahedra, edges with six equivalent GdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Gd3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing TeGd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1731958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}