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Title: Materials Data on GdTlSe2 by Materials Project

Abstract

TlGdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent Se2- atoms to form GdSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Gd–Se bond lengths are 2.92 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent GdSe6 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 Gd3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing SeGd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-569393
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GdTlSe2; Gd-Se-Tl
OSTI Identifier:
1275076
DOI:
10.17188/1275076

Citation Formats

The Materials Project. Materials Data on GdTlSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275076.
The Materials Project. Materials Data on GdTlSe2 by Materials Project. United States. doi:10.17188/1275076.
The Materials Project. 2020. "Materials Data on GdTlSe2 by Materials Project". United States. doi:10.17188/1275076. https://www.osti.gov/servlets/purl/1275076. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275076,
title = {Materials Data on GdTlSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlGdSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded to six equivalent Se2- atoms to form GdSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Gd–Se bond lengths are 2.92 Å. Tl1+ is bonded to six equivalent Se2- atoms to form distorted TlSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent GdSe6 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 Gd3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing SeGd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1275076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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