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Title: Materials Data on YbNbO4 by Materials Project

Abstract

YbNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.39 Å) and six longer (2.40 Å) Yb–O bond lengths. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Nb5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-5466
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YbNbO4; Nb-O-Yb
OSTI Identifier:
1267195
DOI:
https://doi.org/10.17188/1267195

Citation Formats

The Materials Project. Materials Data on YbNbO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1267195.
The Materials Project. Materials Data on YbNbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267195
The Materials Project. 2019. "Materials Data on YbNbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267195. https://www.osti.gov/servlets/purl/1267195. Pub date:Fri Aug 23 00:00:00 EDT 2019
@article{osti_1267195,
title = {Materials Data on YbNbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbNbO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.39 Å) and six longer (2.40 Å) Yb–O bond lengths. Nb5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Nb–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Nb5+ atom.},
doi = {10.17188/1267195},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {8}
}