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Title: Materials Data on KEuPSe4 by Materials Project

Abstract

KEuPSe4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.43–3.70 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.10–3.64 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of P–Se bond distances ranging from 2.22–2.24 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent K1+, one Eu2+, and one P5+ atom to form a mixture of distorted edge and corner-sharing SeK3EuP trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one K1+, three equivalent Eu2+, and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Eu2+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-10382
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; KEuPSe4; Eu-K-P-Se
OSTI Identifier:
1187080
DOI:
10.17188/1187080

Citation Formats

The Materials Project. Materials Data on KEuPSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187080.
The Materials Project. Materials Data on KEuPSe4 by Materials Project. United States. doi:10.17188/1187080.
The Materials Project. 2020. "Materials Data on KEuPSe4 by Materials Project". United States. doi:10.17188/1187080. https://www.osti.gov/servlets/purl/1187080. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187080,
title = {Materials Data on KEuPSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {KEuPSe4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.43–3.70 Å. Eu2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Eu–Se bond distances ranging from 3.10–3.64 Å. P5+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of P–Se bond distances ranging from 2.22–2.24 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent K1+, one Eu2+, and one P5+ atom to form a mixture of distorted edge and corner-sharing SeK3EuP trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one K1+, three equivalent Eu2+, and one P5+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Eu2+, and one P5+ atom.},
doi = {10.17188/1187080},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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