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Title: Materials Data on Eu3NbO7 by Materials Project

Abstract

Eu3NbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.74 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent NbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Eu–O bond distances ranging from 2.26–2.60 Å. 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 36°. There are two shorter (1.99 Å) and four longer (2.03 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the second O2- site, O2-more » is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.« less

Publication Date:
Other Number(s):
mp-510674
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:
1263053
DOI:
https://doi.org/10.17188/1263053

Citation Formats

The Materials Project. Materials Data on Eu3NbO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263053.
The Materials Project. Materials Data on Eu3NbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1263053
The Materials Project. 2020. "Materials Data on Eu3NbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1263053. https://www.osti.gov/servlets/purl/1263053. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263053,
title = {Materials Data on Eu3NbO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3NbO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.74 Å. In the second Eu3+ site, Eu3+ is bonded to seven O2- atoms to form distorted EuO7 pentagonal bipyramids that share corners with two equivalent NbO6 octahedra, a cornercorner with one EuO7 pentagonal bipyramid, edges with two equivalent NbO6 octahedra, and edges with three equivalent EuO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of Eu–O bond distances ranging from 2.26–2.60 Å. 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 36°. There are two shorter (1.99 Å) and four longer (2.03 Å) Nb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Nb5+ atom. 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 to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fourth O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1263053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}