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Title: Materials Data on EuEr2O4 by Materials Project

Abstract

Er2EuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Er–O bond distances ranging from 2.20–2.35 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing OEu2Er3 trigonal bipyramids. In the second O2- site, O2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of corner and edge-sharing OEu2Er3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometrymore » to three Er3+ and two equivalent Eu2+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms.« less

Publication Date:
Other Number(s):
mp-1212745
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; EuEr2O4; Er-Eu-O
OSTI Identifier:
1681005
DOI:
https://doi.org/10.17188/1681005

Citation Formats

The Materials Project. Materials Data on EuEr2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681005.
The Materials Project. Materials Data on EuEr2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1681005
The Materials Project. 2020. "Materials Data on EuEr2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1681005. https://www.osti.gov/servlets/purl/1681005. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681005,
title = {Materials Data on EuEr2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2EuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Er–O bond distances ranging from 2.20–2.35 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–64°. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.58–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of distorted corner and edge-sharing OEu2Er3 trigonal bipyramids. In the second O2- site, O2- is bonded to three equivalent Er3+ and two equivalent Eu2+ atoms to form a mixture of corner and edge-sharing OEu2Er3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Er3+ and two equivalent Eu2+ atoms.},
doi = {10.17188/1681005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}