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Title: Materials Data on Eu3O4 by Materials Project

Abstract

Eu3O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.55–2.59 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.25–2.50 Å. In the third Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.31–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Eu+2.67+ atoms. In the second O2- site, O2- is bonded to five Eu+2.67+ atoms to form OEu5 square pyramids that share corners with two equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, edges with four equivalent OEu5 square pyramids, an edgeedge with one OEu5 trigonal bipyramid,more » and edges with three equivalent OEu4 trigonal pyramids. In the third O2- site, O2- is bonded to four Eu+2.67+ atoms to form distorted OEu4 trigonal pyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, and edges with three equivalent OEu5 square pyramids. In the fourth O2- site, O2- is bonded to five Eu+2.67+ atoms to form distorted OEu5 trigonal bipyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu4 trigonal pyramids, an edgeedge with one OEu5 square pyramid, and edges with four equivalent OEu5 trigonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-1182716
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; Eu3O4; Eu-O
OSTI Identifier:
1731803
DOI:
https://doi.org/10.17188/1731803

Citation Formats

The Materials Project. Materials Data on Eu3O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731803.
The Materials Project. Materials Data on Eu3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1731803
The Materials Project. 2020. "Materials Data on Eu3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1731803. https://www.osti.gov/servlets/purl/1731803. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731803,
title = {Materials Data on Eu3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.55–2.59 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.25–2.50 Å. In the third Eu+2.67+ site, Eu+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–72°. There are a spread of Eu–O bond distances ranging from 2.31–2.46 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Eu+2.67+ atoms. In the second O2- site, O2- is bonded to five Eu+2.67+ atoms to form OEu5 square pyramids that share corners with two equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, edges with four equivalent OEu5 square pyramids, an edgeedge with one OEu5 trigonal bipyramid, and edges with three equivalent OEu4 trigonal pyramids. In the third O2- site, O2- is bonded to four Eu+2.67+ atoms to form distorted OEu4 trigonal pyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu5 trigonal bipyramids, corners with two equivalent OEu4 trigonal pyramids, and edges with three equivalent OEu5 square pyramids. In the fourth O2- site, O2- is bonded to five Eu+2.67+ atoms to form distorted OEu5 trigonal bipyramids that share corners with two equivalent OEu5 square pyramids, corners with five equivalent OEu4 trigonal pyramids, an edgeedge with one OEu5 square pyramid, and edges with four equivalent OEu5 trigonal bipyramids.},
doi = {10.17188/1731803},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}