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Title: Materials Data on Eu2Zr2O7 by Materials Project

Abstract

Eu2Zr2O7 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedral tilt angles are 71°. There are two shorter (2.30 Å) and four longer (2.35 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.37 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.18–2.47 Å. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.19–2.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Zr4+ atom to form a mixture of edge and corner-sharing OEu3Zr tetrahedra. In the second O2- site, O2- is bonded to four Zr4+ atoms tomore » form OZr4 tetrahedra that share corners with sixteen OEu3Zr tetrahedra and edges with six OEu2Zr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form OEu2Zr2 tetrahedra that share corners with fourteen OEu3Zr tetrahedra and edges with five OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Eu3+ and three Zr4+ atoms to form a mixture of edge and corner-sharing OEuZr3 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OEu2Zr2 tetrahedra.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1282561
Report Number(s):
mp-675041
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Eu2Zr2O7; Eu-O-Zr

Citation Formats

The Materials Project. Materials Data on Eu2Zr2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282561.
The Materials Project. Materials Data on Eu2Zr2O7 by Materials Project. United States. https://doi.org/10.17188/1282561
The Materials Project. 2020. "Materials Data on Eu2Zr2O7 by Materials Project". United States. https://doi.org/10.17188/1282561. https://www.osti.gov/servlets/purl/1282561.
@article{osti_1282561,
title = {Materials Data on Eu2Zr2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Zr2O7 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedral tilt angles are 71°. There are two shorter (2.30 Å) and four longer (2.35 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.37 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.18–2.47 Å. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.19–2.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Zr4+ atom to form a mixture of edge and corner-sharing OEu3Zr tetrahedra. In the second O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OEu3Zr tetrahedra and edges with six OEu2Zr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form OEu2Zr2 tetrahedra that share corners with fourteen OEu3Zr tetrahedra and edges with five OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Eu3+ and three Zr4+ atoms to form a mixture of edge and corner-sharing OEuZr3 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OEu2Zr2 tetrahedra.},
doi = {10.17188/1282561},
url = {https://www.osti.gov/biblio/1282561}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}