Title: Materials Data on YNbO4 by Materials Project

Abstract

YNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.43 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 1.88–2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Nb5+ atom.

Publication Date:
Other Number(s):
mp-5387
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Nb-O-Y; YNbO4
OSTI Identifier:
1263604
DOI:
https://doi.org/10.17188/1263604

Citation Formats

Materials Data on YNbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263604.
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Materials Data on YNbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1263604
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2020. "Materials Data on YNbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1263604. https://www.osti.gov/servlets/purl/1263604. Pub date:Mon Jul 13 20:00:00 EDT 2020
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@article{osti_1263604,
title = {Materials Data on YNbO4 by Materials Project},
abstractNote = {YNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.43 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 1.88–2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Nb5+ atom.},
doi = {10.17188/1263604},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1263604
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