U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al4(B2O5)3 by Materials Project
Abstract
Al4B6O15 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.85–1.95 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There is three shorter (1.86 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Al3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted trigonalmore »
- Publication Date:
- Other Number(s):
- mp-31408
- 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-B-O; Al4(B2O5)3; crystal structure
- OSTI Identifier:
- 1205634
- DOI:
- https://doi.org/10.17188/1205634
Citation Formats
Materials Data on Al4(B2O5)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205634.
Materials Data on Al4(B2O5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1205634
2020.
"Materials Data on Al4(B2O5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1205634. https://www.osti.gov/servlets/purl/1205634. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1205634,
title = {Materials Data on Al4(B2O5)3 by Materials Project},
abstractNote = {Al4B6O15 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.85–1.95 Å. In the second Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There is three shorter (1.86 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Al3+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Al3+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al3+ and one B3+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ atoms.},
doi = {10.17188/1205634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 04:00:00 UTC 2020},
month = {Tue Jul 14 04:00:00 UTC 2020}
}