U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2MgSiO4 by Materials Project
Abstract
Li2MgSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic P2_1/c 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 two equivalent LiO4 tetrahedra, corners with four equivalent MgO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.04 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent MgO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one MgO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.10 Å. Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.96–2.01 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MgO4more »
- Publication Date:
- Other Number(s):
- mp-11189
- 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; Li-Mg-O-Si; Li2MgSiO4; crystal structure
- OSTI Identifier:
- 1187620
- DOI:
- https://doi.org/10.17188/1187620
Citation Formats
Materials Data on Li2MgSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187620.
Materials Data on Li2MgSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1187620
2020.
"Materials Data on Li2MgSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1187620. https://www.osti.gov/servlets/purl/1187620. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1187620,
title = {Materials Data on Li2MgSiO4 by Materials Project},
abstractNote = {Li2MgSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic P2_1/c 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 two equivalent LiO4 tetrahedra, corners with four equivalent MgO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.04 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent MgO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, an edgeedge with one LiO4 tetrahedra, and an edgeedge with one MgO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.10 Å. Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with six LiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.96–2.01 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MgO4 tetrahedra and corners with eight LiO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one Mg2+, and one Si4+ atom to form a mixture of edge and corner-sharing OLi2MgSi tetrahedra. In the second O2- site, O2- is bonded to two Li1+, one Mg2+, and one Si4+ atom to form corner-sharing OLi2MgSi tetrahedra. In the third O2- site, O2- is bonded to two Li1+, one Mg2+, and one Si4+ atom to form a mixture of edge and corner-sharing OLi2MgSi tetrahedra. In the fourth O2- site, O2- is bonded to two Li1+, one Mg2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi2MgSi trigonal pyramids.},
doi = {10.17188/1187620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}