U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAlSiO5 by Materials Project
Abstract
LiAlSiO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.08 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.78 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fourthmore »
- Publication Date:
- Other Number(s):
- mp-1198062
- 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-Li-O-Si; LiAlSiO5; crystal structure
- OSTI Identifier:
- 1705994
- DOI:
- https://doi.org/10.17188/1705994
Citation Formats
Materials Data on LiAlSiO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705994.
Materials Data on LiAlSiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1705994
2020.
"Materials Data on LiAlSiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1705994. https://www.osti.gov/servlets/purl/1705994. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1705994,
title = {Materials Data on LiAlSiO5 by Materials Project},
abstractNote = {LiAlSiO5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent AlO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.08 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.78 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra and corners with four equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the second O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the third O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fourth O site, O is bonded in a trigonal planar geometry to one Li, one Al, and one Si atom. In the fifth O site, O is bonded in a single-bond geometry to one Li atom.},
doi = {10.17188/1705994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}