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Title: Materials Data on Eu2ReO5 by Materials Project

Abstract

Eu2ReO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.70 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.90 Å. In the second Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.89 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Eu3+ atoms to form OEu4 tetrahedra that share corners with twelve equivalent OEu3Re tetrahedra and edges with two equivalent OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Eu3+ and one Re4+ atom. In the fourth O2- site, O2- is bonded to three equivalent Eu3+ and one Re4+ atom to form a mixture of distorted corner and edge-sharing OEu3Re tetrahedra.

Publication Date:
Other Number(s):
mp-20209
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; Eu2ReO5; Eu-O-Re
OSTI Identifier:
1195348
DOI:
https://doi.org/10.17188/1195348

Citation Formats

The Materials Project. Materials Data on Eu2ReO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195348.
The Materials Project. Materials Data on Eu2ReO5 by Materials Project. United States. doi:https://doi.org/10.17188/1195348
The Materials Project. 2020. "Materials Data on Eu2ReO5 by Materials Project". United States. doi:https://doi.org/10.17188/1195348. https://www.osti.gov/servlets/purl/1195348. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1195348,
title = {Materials Data on Eu2ReO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2ReO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.32–2.70 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.90 Å. In the second Re4+ site, Re4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Re–O bond lengths are 1.89 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Eu3+ atoms to form OEu4 tetrahedra that share corners with twelve equivalent OEu3Re tetrahedra and edges with two equivalent OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Eu3+ and one Re4+ atom. In the fourth O2- site, O2- is bonded to three equivalent Eu3+ and one Re4+ atom to form a mixture of distorted corner and edge-sharing OEu3Re tetrahedra.},
doi = {10.17188/1195348},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}