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Title: Materials Data on KEuPS4 by Materials Project

Abstract

KEuPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.35–3.56 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.98–3.44 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent K1+, one Eu2+, and one P5+ atom to form distorted corner-sharing SK3EuP trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Eu2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one K1+, three equivalent Eu2+, and one P5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-628735
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; KEuPS4; Eu-K-P-S
OSTI Identifier:
1278934
DOI:
10.17188/1278934

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KEuPS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278934.
Persson, Kristin, & Project, Materials. Materials Data on KEuPS4 by Materials Project. United States. doi:10.17188/1278934.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KEuPS4 by Materials Project". United States. doi:10.17188/1278934. https://www.osti.gov/servlets/purl/1278934. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1278934,
title = {Materials Data on KEuPS4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KEuPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.35–3.56 Å. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.98–3.44 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent K1+, one Eu2+, and one P5+ atom to form distorted corner-sharing SK3EuP trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Eu2+, and one P5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one K1+, three equivalent Eu2+, and one P5+ atom.},
doi = {10.17188/1278934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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