U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2BeSiO4 by Materials Project
Abstract
Li2BeSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent BeO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.02 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent BeO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.03 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight LiO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight LiO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are four inequivalent O2- sites. In themore »
- Publication Date:
- Other Number(s):
- mp-8070
- 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; Be-Li-O-Si; Li2BeSiO4; crystal structure
- OSTI Identifier:
- 1282067
- DOI:
- https://doi.org/10.17188/1282067
Citation Formats
Materials Data on Li2BeSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282067.
Materials Data on Li2BeSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1282067
2020.
"Materials Data on Li2BeSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1282067. https://www.osti.gov/servlets/purl/1282067. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1282067,
title = {Materials Data on Li2BeSiO4 by Materials Project},
abstractNote = {Li2BeSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent BeO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.98–2.02 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with four equivalent BeO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.03 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight LiO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with eight LiO4 tetrahedra. All Si–O bond lengths are 1.65 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form corner-sharing OLi2BeSi tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form corner-sharing OLi2BeSi tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form distorted corner-sharing OLi2BeSi tetrahedra. In the fourth O2- site, O2- is bonded to two Li1+, one Be2+, and one Si4+ atom to form distorted corner-sharing OLi2BeSi tetrahedra.},
doi = {10.17188/1282067},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}