DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaN2 by Materials Project

Abstract

BaN2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Ba–N bond distances ranging from 2.73–3.25 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Ba–N bond distances ranging from 2.68–3.40 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted see-saw-like geometry to four Ba2+ atoms. In the second N1- site, N1- is bonded to four Ba2+ atoms to form distorted edge-sharing NBa4 trigonal pyramids. In the third N1- site, N1- is bonded in a 4-coordinate geometry to four Ba2+ atoms. In the fourth N1- site, N1- is bonded in a 2-coordinate geometry to four Ba2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1102371
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaN2; Ba-N
OSTI Identifier:
1731823
DOI:
https://doi.org/10.17188/1731823

Citation Formats

The Materials Project. Materials Data on BaN2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1731823.
The Materials Project. Materials Data on BaN2 by Materials Project. United States. doi:https://doi.org/10.17188/1731823
The Materials Project. 2018. "Materials Data on BaN2 by Materials Project". United States. doi:https://doi.org/10.17188/1731823. https://www.osti.gov/servlets/purl/1731823. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1731823,
title = {Materials Data on BaN2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaN2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Ba–N bond distances ranging from 2.73–3.25 Å. In the second Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Ba–N bond distances ranging from 2.68–3.40 Å. There are four inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted see-saw-like geometry to four Ba2+ atoms. In the second N1- site, N1- is bonded to four Ba2+ atoms to form distorted edge-sharing NBa4 trigonal pyramids. In the third N1- site, N1- is bonded in a 4-coordinate geometry to four Ba2+ atoms. In the fourth N1- site, N1- is bonded in a 2-coordinate geometry to four Ba2+ atoms.},
doi = {10.17188/1731823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}