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Title: Materials Data on Ba(NO3)2 by Materials Project

Abstract

Ba(NO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form corner-sharing BaO12 cuboctahedra. There are six shorter (2.93 Å) and six longer (3.00 Å) Ba–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one N5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4396
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; Ba(NO3)2; Ba-N-O
OSTI Identifier:
1208124
DOI:
10.17188/1208124

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba(NO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208124.
Persson, Kristin, & Project, Materials. Materials Data on Ba(NO3)2 by Materials Project. United States. doi:10.17188/1208124.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba(NO3)2 by Materials Project". United States. doi:10.17188/1208124. https://www.osti.gov/servlets/purl/1208124. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1208124,
title = {Materials Data on Ba(NO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba(NO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form corner-sharing BaO12 cuboctahedra. There are six shorter (2.93 Å) and six longer (3.00 Å) Ba–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one N5+ atom.},
doi = {10.17188/1208124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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