U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaAl2O4 by Materials Project
Abstract
BaAl2O4 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are six shorter (2.92 Å) and three longer (3.04 Å) Ba–O bond lengths. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.76 Å) and three longer (1.77 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Ba2+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-3828
- 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; Al-Ba-O; BaAl2O4; crystal structure
- OSTI Identifier:
- 1207497
- DOI:
- https://doi.org/10.17188/1207497
Citation Formats
Materials Data on BaAl2O4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1207497.
Materials Data on BaAl2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1207497
2017.
"Materials Data on BaAl2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1207497. https://www.osti.gov/servlets/purl/1207497. Pub date:Fri Jul 21 04:00:00 UTC 2017
@article{osti_1207497,
title = {Materials Data on BaAl2O4 by Materials Project},
abstractNote = {BaAl2O4 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are six shorter (2.92 Å) and three longer (3.04 Å) Ba–O bond lengths. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.76 Å) and three longer (1.77 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to three equivalent Ba2+ and two equivalent Al3+ atoms.},
doi = {10.17188/1207497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}
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