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Title: Materials Data on Tl2SO3 by Materials Project

Abstract

Tl2SO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Tl2SO3 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.64–2.86 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.51–2.70 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.55 Å) and two longer (1.56 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and one S4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and one S4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690541
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; Tl2SO3; O-S-Tl
OSTI Identifier:
1284522
DOI:
10.17188/1284522

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tl2SO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284522.
Persson, Kristin, & Project, Materials. Materials Data on Tl2SO3 by Materials Project. United States. doi:10.17188/1284522.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tl2SO3 by Materials Project". United States. doi:10.17188/1284522. https://www.osti.gov/servlets/purl/1284522. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1284522,
title = {Materials Data on Tl2SO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tl2SO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Tl2SO3 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.64–2.86 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.51–2.70 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.55 Å) and two longer (1.56 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Tl1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and one S4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Tl1+ and one S4+ atom.},
doi = {10.17188/1284522},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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