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Title: Materials Data on BaSi2(NO)2 by Materials Project

Abstract

BaSi2O2N2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to two equivalent N3- and eight equivalent O2- atoms. Both Ba–N bond lengths are 3.33 Å. There are a spread of Ba–O bond distances ranging from 2.79–3.09 Å. Si4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. N3- is bonded in a trigonal planar geometry to one Ba2+ and three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.

Publication Date:
Other Number(s):
mp-6764
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; BaSi2(NO)2; Ba-N-O-Si
OSTI Identifier:
1283039
DOI:
https://doi.org/10.17188/1283039

Citation Formats

The Materials Project. Materials Data on BaSi2(NO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283039.
The Materials Project. Materials Data on BaSi2(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1283039
The Materials Project. 2020. "Materials Data on BaSi2(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1283039. https://www.osti.gov/servlets/purl/1283039. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1283039,
title = {Materials Data on BaSi2(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSi2O2N2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to two equivalent N3- and eight equivalent O2- atoms. Both Ba–N bond lengths are 3.33 Å. There are a spread of Ba–O bond distances ranging from 2.79–3.09 Å. Si4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. N3- is bonded in a trigonal planar geometry to one Ba2+ and three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.},
doi = {10.17188/1283039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}