Materials Data on Ba2ZnN2 by Materials Project
Abstract
Ba2ZnN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing BaN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.99 Å) Ba–N bond lengths. Zn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Zn–N bond lengths are 1.85 Å. N3- is bonded to five equivalent Ba2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing NBa5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9307
- 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; Ba2ZnN2; Ba-N-Zn
- OSTI Identifier:
- 1313125
- DOI:
- https://doi.org/10.17188/1313125
Citation Formats
The Materials Project. Materials Data on Ba2ZnN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313125.
The Materials Project. Materials Data on Ba2ZnN2 by Materials Project. United States. doi:https://doi.org/10.17188/1313125
The Materials Project. 2020.
"Materials Data on Ba2ZnN2 by Materials Project". United States. doi:https://doi.org/10.17188/1313125. https://www.osti.gov/servlets/purl/1313125. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313125,
title = {Materials Data on Ba2ZnN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2ZnN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing BaN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.99 Å) Ba–N bond lengths. Zn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Zn–N bond lengths are 1.85 Å. N3- is bonded to five equivalent Ba2+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing NBa5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–7°.},
doi = {10.17188/1313125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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