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Title: Materials Data on EuTlS2O9 by Materials Project

Abstract

EuTlS2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.56 Å. Tl3+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.74 Å) and one longer (2.95 Å) Tl–O bond lengths. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Eu3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+, one Tl3+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degreesmore » geometry to one Eu3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Tl3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and one S6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1213610
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; EuTlS2O9; Eu-O-S-Tl
OSTI Identifier:
1707329
DOI:
https://doi.org/10.17188/1707329

Citation Formats

The Materials Project. Materials Data on EuTlS2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707329.
The Materials Project. Materials Data on EuTlS2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1707329
The Materials Project. 2020. "Materials Data on EuTlS2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1707329. https://www.osti.gov/servlets/purl/1707329. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707329,
title = {Materials Data on EuTlS2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {EuTlS2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.56 Å. Tl3+ is bonded in a 1-coordinate geometry to two O2- atoms. There are one shorter (2.74 Å) and one longer (2.95 Å) Tl–O bond lengths. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Eu3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+, one Tl3+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Tl3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Eu3+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Eu3+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Eu3+ and one S6+ atom.},
doi = {10.17188/1707329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}