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Title: Materials Data on ErNbO4 by Materials Project

Abstract

ErNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.31–2.40 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Nb5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5370
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; ErNbO4; Er-Nb-O
OSTI Identifier:
1183664
DOI:
10.17188/1183664

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErNbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183664.
Persson, Kristin, & Project, Materials. Materials Data on ErNbO4 by Materials Project. United States. doi:10.17188/1183664.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErNbO4 by Materials Project". United States. doi:10.17188/1183664. https://www.osti.gov/servlets/purl/1183664. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1183664,
title = {Materials Data on ErNbO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.31–2.40 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Nb5+ atom.},
doi = {10.17188/1183664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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