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Title: Materials Data on KEuF4 by Materials Project

Abstract

KEuF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.62–2.76 Å. Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.31–2.51 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Eu3+ atoms to form distorted FK2Eu2 tetrahedra that share corners with ten FK2Eu2 tetrahedra and an edgeedge with one FKEu3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Eu3+ atoms. In the third F1- site, F1- is bonded to one K1+ and three equivalent Eu3+ atoms to form FKEu3 tetrahedra that share corners with eight FK2Eu2 tetrahedra and edges with three FKEu3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Eu3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1211862
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; KEuF4; Eu-F-K
OSTI Identifier:
1687957
DOI:
https://doi.org/10.17188/1687957

Citation Formats

The Materials Project. Materials Data on KEuF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687957.
The Materials Project. Materials Data on KEuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1687957
The Materials Project. 2020. "Materials Data on KEuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1687957. https://www.osti.gov/servlets/purl/1687957. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1687957,
title = {Materials Data on KEuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {KEuF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.62–2.76 Å. Eu3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Eu–F bond distances ranging from 2.31–2.51 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent Eu3+ atoms to form distorted FK2Eu2 tetrahedra that share corners with ten FK2Eu2 tetrahedra and an edgeedge with one FKEu3 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Eu3+ atoms. In the third F1- site, F1- is bonded to one K1+ and three equivalent Eu3+ atoms to form FKEu3 tetrahedra that share corners with eight FK2Eu2 tetrahedra and edges with three FKEu3 tetrahedra. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Eu3+ atom.},
doi = {10.17188/1687957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}