U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1102371
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ba-N; BaN2; crystal structure
- OSTI Identifier:
- 1731823
- DOI:
- https://doi.org/10.17188/1731823
Citation Formats
Materials Data on BaN2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1731823.
Materials Data on BaN2 by Materials Project. United States. doi:https://doi.org/10.17188/1731823
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 04:00:00 UTC 2018
@article{osti_1731823,
title = {Materials Data on BaN2 by 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}
}