U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Be3Al2(SiO3)6 by Materials Project
Abstract
Be3Al2Si6O18 crystallizes in the hexagonal P6/mcc space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form distorted BeO4 trigonal pyramids that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent AlO6 octahedra. All Be–O bond lengths are 1.66 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent BeO4 trigonal pyramids. All Al–O bond lengths are 1.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO6 octahedra, corners with two equivalent SiO4 tetrahedra, and corners with two equivalent BeO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.61 Å) and two longer (1.64 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Be2+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.
- Publication Date:
- Other Number(s):
- mp-6030
- 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-Be-O-Si; Be3Al2(SiO3)6; crystal structure
- OSTI Identifier:
- 1277352
- DOI:
- https://doi.org/10.17188/1277352
Citation Formats
Materials Data on Be3Al2(SiO3)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277352.
Materials Data on Be3Al2(SiO3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1277352
2020.
"Materials Data on Be3Al2(SiO3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1277352. https://www.osti.gov/servlets/purl/1277352. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1277352,
title = {Materials Data on Be3Al2(SiO3)6 by Materials Project},
abstractNote = {Be3Al2Si6O18 crystallizes in the hexagonal P6/mcc space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form distorted BeO4 trigonal pyramids that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent AlO6 octahedra. All Be–O bond lengths are 1.66 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with three equivalent BeO4 trigonal pyramids. All Al–O bond lengths are 1.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO6 octahedra, corners with two equivalent SiO4 tetrahedra, and corners with two equivalent BeO4 trigonal pyramids. The corner-sharing octahedral tilt angles are 44°. There is two shorter (1.61 Å) and two longer (1.64 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Be2+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1277352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}