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Title: Materials Data on Ba3CrN3 by Materials Project

Abstract

Ba3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.83–3.38 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to five equivalent Ba2+ and one Cr3+ atom.

Publication Date:
Other Number(s):
mp-12905
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; Ba3CrN3; Ba-Cr-N
OSTI Identifier:
1189259
DOI:
https://doi.org/10.17188/1189259

Citation Formats

The Materials Project. Materials Data on Ba3CrN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189259.
The Materials Project. Materials Data on Ba3CrN3 by Materials Project. United States. doi:https://doi.org/10.17188/1189259
The Materials Project. 2020. "Materials Data on Ba3CrN3 by Materials Project". United States. doi:https://doi.org/10.17188/1189259. https://www.osti.gov/servlets/purl/1189259. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1189259,
title = {Materials Data on Ba3CrN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five equivalent N3- atoms. There are a spread of Ba–N bond distances ranging from 2.83–3.38 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to five equivalent Ba2+ and one Cr3+ atom.},
doi = {10.17188/1189259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}