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Title: Materials Data on Tl3AsSe3 by Materials Project

Abstract

Tl3AsSe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.20–3.65 Å. As3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All As–Se bond lengths are 2.43 Å. Se2- is bonded in a 1-coordinate geometry to five equivalent Tl1+ and one As3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7684
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; Tl3AsSe3; As-Se-Tl
OSTI Identifier:
1298406
DOI:
10.17188/1298406

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tl3AsSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298406.
Persson, Kristin, & Project, Materials. Materials Data on Tl3AsSe3 by Materials Project. United States. doi:10.17188/1298406.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tl3AsSe3 by Materials Project". United States. doi:10.17188/1298406. https://www.osti.gov/servlets/purl/1298406. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1298406,
title = {Materials Data on Tl3AsSe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tl3AsSe3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Tl–Se bond distances ranging from 3.20–3.65 Å. As3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All As–Se bond lengths are 2.43 Å. Se2- is bonded in a 1-coordinate geometry to five equivalent Tl1+ and one As3+ atom.},
doi = {10.17188/1298406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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