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Title: Materials Data on Eu3NbO7 by Materials Project

Abstract

Eu3NbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Eu–O bond distances ranging from 2.26–2.80 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.67 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are two shorter (1.99 Å) and four longer (2.02 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In themore » second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756886
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; Eu3NbO7; Eu-Nb-O
OSTI Identifier:
1290652
DOI:
10.17188/1290652

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Eu3NbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290652.
Persson, Kristin, & Project, Materials. Materials Data on Eu3NbO7 by Materials Project. United States. doi:10.17188/1290652.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Eu3NbO7 by Materials Project". United States. doi:10.17188/1290652. https://www.osti.gov/servlets/purl/1290652. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1290652,
title = {Materials Data on Eu3NbO7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Eu3NbO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, corners with three equivalent EuO7 pentagonal bipyramids, edges with two equivalent NbO6 octahedra, and edges with two equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of Eu–O bond distances ranging from 2.26–2.80 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.67 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra, corners with four equivalent EuO7 pentagonal bipyramids, and edges with four equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 25°. There are two shorter (1.99 Å) and four longer (2.02 Å) Nb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1290652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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