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Title: Materials Data on Sr2EuTaO6 by Materials Project

Abstract

Sr2EuTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.05 Å. Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are four shorter (2.33 Å) and two longer (2.36 Å) Eu–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Eu3+, and one Ta5+ atom to form distorted corner-sharing OSr2EuTa tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Eu3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Eu3+, and one Ta5+ atom.

Publication Date:
Other Number(s):
mp-1209013
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; Sr2EuTaO6; Eu-O-Sr-Ta
OSTI Identifier:
1679027
DOI:
https://doi.org/10.17188/1679027

Citation Formats

The Materials Project. Materials Data on Sr2EuTaO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1679027.
The Materials Project. Materials Data on Sr2EuTaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1679027
The Materials Project. 2019. "Materials Data on Sr2EuTaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1679027. https://www.osti.gov/servlets/purl/1679027. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1679027,
title = {Materials Data on Sr2EuTaO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2EuTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.05 Å. Eu3+ is bonded to six O2- atoms to form EuO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are four shorter (2.33 Å) and two longer (2.36 Å) Eu–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are two shorter (2.02 Å) and four longer (2.03 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Eu3+, and one Ta5+ atom to form distorted corner-sharing OSr2EuTa tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Eu3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Eu3+, and one Ta5+ atom.},
doi = {10.17188/1679027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}