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Title: Materials Data on Ba2PrSbO6 by Materials Project

Abstract

Ba2PrSbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.36 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Pr–O bond lengths are 2.36 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Pr3+, and one Sb5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6692
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; Ba2PrSbO6; Ba-O-Pr-Sb
OSTI Identifier:
1281562
DOI:
10.17188/1281562

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba2PrSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281562.
Persson, Kristin, & Project, Materials. Materials Data on Ba2PrSbO6 by Materials Project. United States. doi:10.17188/1281562.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba2PrSbO6 by Materials Project". United States. doi:10.17188/1281562. https://www.osti.gov/servlets/purl/1281562. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1281562,
title = {Materials Data on Ba2PrSbO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba2PrSbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.36 Å. Pr3+ is bonded to six equivalent O2- atoms to form PrO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Pr–O bond lengths are 2.36 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent PrO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one Pr3+, and one Sb5+ atom.},
doi = {10.17188/1281562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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