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Title: Materials Data on Eu3TaO6 by Materials Project

Abstract

Eu3TaO6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent TaO6 octahedra. All Eu–O bond lengths are 3.01 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.27 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to five Eu+2.33+ and one Ta5+ atom.

Publication Date:
Other Number(s):
mp-21406
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; Eu3TaO6; Eu-O-Ta
OSTI Identifier:
1196852
DOI:
10.17188/1196852

Citation Formats

The Materials Project. Materials Data on Eu3TaO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196852.
The Materials Project. Materials Data on Eu3TaO6 by Materials Project. United States. doi:10.17188/1196852.
The Materials Project. 2020. "Materials Data on Eu3TaO6 by Materials Project". United States. doi:10.17188/1196852. https://www.osti.gov/servlets/purl/1196852. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1196852,
title = {Materials Data on Eu3TaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3TaO6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.33+ sites. In the first Eu+2.33+ site, Eu+2.33+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent EuO6 octahedra, and faces with four equivalent TaO6 octahedra. All Eu–O bond lengths are 3.01 Å. In the second Eu+2.33+ site, Eu+2.33+ is bonded to six equivalent O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–O bond lengths are 2.27 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. O2- is bonded in a distorted linear geometry to five Eu+2.33+ and one Ta5+ atom.},
doi = {10.17188/1196852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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