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Title: Materials Data on Ba2PrNbO6 by Materials Project

Abstract

Ba2PrNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.13 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Pr–O bond lengths are 2.38 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Pr3+, and one Nb5+ atom.

Publication Date:
Other Number(s):
mp-552176
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; Ba2PrNbO6; Ba-Nb-O-Pr
OSTI Identifier:
1267560
DOI:
10.17188/1267560

Citation Formats

The Materials Project. Materials Data on Ba2PrNbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267560.
The Materials Project. Materials Data on Ba2PrNbO6 by Materials Project. United States. doi:10.17188/1267560.
The Materials Project. 2020. "Materials Data on Ba2PrNbO6 by Materials Project". United States. doi:10.17188/1267560. https://www.osti.gov/servlets/purl/1267560. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267560,
title = {Materials Data on Ba2PrNbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2PrNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.13 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Pr–O bond lengths are 2.38 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 19°. All Nb–O bond lengths are 2.04 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+, one Pr3+, and one Nb5+ atom.},
doi = {10.17188/1267560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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