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Title: Materials Data on Ba3FeN3 by Materials Project

Abstract

Ba3FeN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. There are a spread of Ba–N bond distances ranging from 2.84–3.18 Å. Fe3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Fe–N bond lengths are 1.74 Å. N3- is bonded in a distorted single-bond geometry to five equivalent Ba2+ and one Fe3+ atom.

Publication Date:
Other Number(s):
mp-8306
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; Ba3FeN3; Ba-Fe-N
OSTI Identifier:
1308026
DOI:
https://doi.org/10.17188/1308026

Citation Formats

The Materials Project. Materials Data on Ba3FeN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308026.
The Materials Project. Materials Data on Ba3FeN3 by Materials Project. United States. doi:https://doi.org/10.17188/1308026
The Materials Project. 2020. "Materials Data on Ba3FeN3 by Materials Project". United States. doi:https://doi.org/10.17188/1308026. https://www.osti.gov/servlets/purl/1308026. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1308026,
title = {Materials Data on Ba3FeN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3FeN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of distorted edge and corner-sharing BaN5 trigonal bipyramids. There are a spread of Ba–N bond distances ranging from 2.84–3.18 Å. Fe3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Fe–N bond lengths are 1.74 Å. N3- is bonded in a distorted single-bond geometry to five equivalent Ba2+ and one Fe3+ atom.},
doi = {10.17188/1308026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}