U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaZnO2 by Materials Project
Abstract
BaZnO2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.33 Å. Zn2+ is bonded to four equivalent O2- atoms to form corner-sharing ZnO4 tetrahedra. There are two shorter (1.95 Å) and two longer (2.06 Å) Zn–O bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-4236
- 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-O-Zn; BaZnO2; crystal structure
- OSTI Identifier:
- 1207988
- DOI:
- https://doi.org/10.17188/1207988
Citation Formats
Materials Data on BaZnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207988.
Materials Data on BaZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1207988
2020.
"Materials Data on BaZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1207988. https://www.osti.gov/servlets/purl/1207988. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207988,
title = {Materials Data on BaZnO2 by Materials Project},
abstractNote = {BaZnO2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.33 Å. Zn2+ is bonded to four equivalent O2- atoms to form corner-sharing ZnO4 tetrahedra. There are two shorter (1.95 Å) and two longer (2.06 Å) Zn–O bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1207988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.