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Title: Materials Data on Eu5(MoO6)2 by Materials Project

Abstract

Eu5(MoO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.60 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.60 Å. In the third Eu+2.40+ site, Eu+2.40+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (2.41 Å) and two longer (2.42 Å) Eu–O bond lengths. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent EuO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Mo–O bond distances ranging from 1.91–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu+2.40+ and one Mo6+ atom to form a mixture of distorted edge and corner-sharing OEu3Mo tetrahedra. In the second O2-more » site, O2- is bonded to four Eu+2.40+ atoms to form OEu4 tetrahedra that share corners with thirteen OEu2Mo2 tetrahedra and edges with four OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Eu+2.40+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded to two Eu+2.40+ and two equivalent Mo6+ atoms to form distorted OEu2Mo2 tetrahedra that share corners with eight OEu4 tetrahedra and edges with five OEu2Mo2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1105347
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; Eu5(MoO6)2; Eu-Mo-O
OSTI Identifier:
1758278
DOI:
https://doi.org/10.17188/1758278

Citation Formats

The Materials Project. Materials Data on Eu5(MoO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758278.
The Materials Project. Materials Data on Eu5(MoO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758278
The Materials Project. 2020. "Materials Data on Eu5(MoO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758278. https://www.osti.gov/servlets/purl/1758278. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758278,
title = {Materials Data on Eu5(MoO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu5(MoO6)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Eu+2.40+ sites. In the first Eu+2.40+ site, Eu+2.40+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.60 Å. In the second Eu+2.40+ site, Eu+2.40+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.60 Å. In the third Eu+2.40+ site, Eu+2.40+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are four shorter (2.41 Å) and two longer (2.42 Å) Eu–O bond lengths. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent EuO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Mo–O bond distances ranging from 1.91–2.11 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu+2.40+ and one Mo6+ atom to form a mixture of distorted edge and corner-sharing OEu3Mo tetrahedra. In the second O2- site, O2- is bonded to four Eu+2.40+ atoms to form OEu4 tetrahedra that share corners with thirteen OEu2Mo2 tetrahedra and edges with four OEu4 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Eu+2.40+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded to two Eu+2.40+ and two equivalent Mo6+ atoms to form distorted OEu2Mo2 tetrahedra that share corners with eight OEu4 tetrahedra and edges with five OEu2Mo2 tetrahedra.},
doi = {10.17188/1758278},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}