Materials Data on Li2SO4 by Materials Project
Abstract
Li2SO4 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 SO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.01 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four equivalent SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with eight LiO4 tetrahedra. All S–O bond lengths are 1.49 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one S6+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-4556
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2SO4; Li-O-S
- OSTI Identifier:
- 1208250
- DOI:
- https://doi.org/10.17188/1208250
Citation Formats
The Materials Project. Materials Data on Li2SO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208250.
The Materials Project. Materials Data on Li2SO4 by Materials Project. United States. doi:https://doi.org/10.17188/1208250
The Materials Project. 2020.
"Materials Data on Li2SO4 by Materials Project". United States. doi:https://doi.org/10.17188/1208250. https://www.osti.gov/servlets/purl/1208250. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1208250,
title = {Materials Data on Li2SO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2SO4 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 SO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.01 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four LiO4 tetrahedra and corners with four equivalent SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with eight LiO4 tetrahedra. All S–O bond lengths are 1.49 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one S6+ atom.},
doi = {10.17188/1208250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}