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Title: Materials Data on BaZr(BO3)2 by Materials Project

Abstract

BaZr(BO3)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.83 Å. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.11 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 1-coordinate geometry to one Ba2+, one Zr4+, and one B3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559348
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; BaZr(BO3)2; B-Ba-O-Zr
OSTI Identifier:
1270815
DOI:
10.17188/1270815

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaZr(BO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270815.
Persson, Kristin, & Project, Materials. Materials Data on BaZr(BO3)2 by Materials Project. United States. doi:10.17188/1270815.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaZr(BO3)2 by Materials Project". United States. doi:10.17188/1270815. https://www.osti.gov/servlets/purl/1270815. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270815,
title = {Materials Data on BaZr(BO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BaZr(BO3)2 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.83 Å. Zr4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Zr–O bond lengths are 2.11 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 1-coordinate geometry to one Ba2+, one Zr4+, and one B3+ atom.},
doi = {10.17188/1270815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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