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Title: Materials Data on EuTlPS4 by Materials Project

Abstract

TlEuPS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.97–3.47 Å. Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.27–3.50 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.05–2.07 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+, two equivalent Tl1+, and one P5+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Eu2+, one Tl1+, and one P5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Eu2+, three equivalent Tl1+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+, two equivalent Tl1+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-657233
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; EuTlPS4; Eu-P-S-Tl
OSTI Identifier:
1281355
DOI:
10.17188/1281355

Citation Formats

The Materials Project. Materials Data on EuTlPS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281355.
The Materials Project. Materials Data on EuTlPS4 by Materials Project. United States. doi:10.17188/1281355.
The Materials Project. 2020. "Materials Data on EuTlPS4 by Materials Project". United States. doi:10.17188/1281355. https://www.osti.gov/servlets/purl/1281355. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1281355,
title = {Materials Data on EuTlPS4 by Materials Project},
author = {The Materials Project},
abstractNote = {TlEuPS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.97–3.47 Å. Tl1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.27–3.50 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.05–2.07 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+, two equivalent Tl1+, and one P5+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Eu2+, one Tl1+, and one P5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Eu2+, three equivalent Tl1+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+, two equivalent Tl1+, and one P5+ atom.},
doi = {10.17188/1281355},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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