U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BeAlSiHO5 by Materials Project
Abstract
BeAlSiHO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two equivalent AlO6 octahedra, corners with two equivalent BeO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Be–O bond distances ranging from 1.61–1.69 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent BeO4 tetrahedra, corners with five equivalent SiO4 tetrahedra, and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–2.00 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with five equivalent AlO6 octahedra and corners with three equivalent BeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Be2+, one Al3+, and one Si4+ atom.more »
- Publication Date:
- Other Number(s):
- mp-759686
- 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-H-O-Si; BeAlSiHO5; crystal structure
- OSTI Identifier:
- 1291469
- DOI:
- https://doi.org/10.17188/1291469
Citation Formats
Materials Data on BeAlSiHO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291469.
Materials Data on BeAlSiHO5 by Materials Project. United States. doi:https://doi.org/10.17188/1291469
2020.
"Materials Data on BeAlSiHO5 by Materials Project". United States. doi:https://doi.org/10.17188/1291469. https://www.osti.gov/servlets/purl/1291469. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1291469,
title = {Materials Data on BeAlSiHO5 by Materials Project},
abstractNote = {BeAlSiHO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with two equivalent AlO6 octahedra, corners with two equivalent BeO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–59°. There are a spread of Be–O bond distances ranging from 1.61–1.69 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with two equivalent BeO4 tetrahedra, corners with five equivalent SiO4 tetrahedra, and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–2.00 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with five equivalent AlO6 octahedra and corners with three equivalent BeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Be2+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Be2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Be2+, one Al3+, and one H1+ atom.},
doi = {10.17188/1291469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}