U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba3MgGeN4 by Materials Project
Abstract
Ba3MgGeN4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Ba–N bond distances ranging from 2.76–2.82 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ba–N bond distances ranging from 2.82–3.16 Å. Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. All Mg–N bond lengths are 2.15 Å. Ge4+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.92 Å) and two longer (1.96 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Ba2+, one Mg2+, and one Ge4+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three Ba2+, one Mg2+, and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-1019521
- 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-Ge-Mg-N; Ba3MgGeN4; crystal structure
- OSTI Identifier:
- 1350569
- DOI:
- https://doi.org/10.17188/1350569
Citation Formats
Materials Data on Ba3MgGeN4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350569.
Materials Data on Ba3MgGeN4 by Materials Project. United States. doi:https://doi.org/10.17188/1350569
2020.
"Materials Data on Ba3MgGeN4 by Materials Project". United States. doi:https://doi.org/10.17188/1350569. https://www.osti.gov/servlets/purl/1350569. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1350569,
title = {Materials Data on Ba3MgGeN4 by Materials Project},
abstractNote = {Ba3MgGeN4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Ba–N bond distances ranging from 2.76–2.82 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ba–N bond distances ranging from 2.82–3.16 Å. Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. All Mg–N bond lengths are 2.15 Å. Ge4+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.92 Å) and two longer (1.96 Å) Ge–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Ba2+, one Mg2+, and one Ge4+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three Ba2+, one Mg2+, and one Ge4+ atom.},
doi = {10.17188/1350569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}