U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2SeO4 by Materials Project
Abstract
Li2SeO4 crystallizes in the trigonal R-3 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 LiO4 tetrahedra and corners with four equivalent SeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.02 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 SeO4 tetrahedra. There is three shorter (1.98 Å) and one longer (2.00 Å) Li–O bond length. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with eight LiO4 tetrahedra. There is three shorter (1.67 Å) and one longer (1.68 Å) Se–O bond length. 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 Se6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-4855
- 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; Li2SeO4; Li-O-Se
- OSTI Identifier:
- 1208446
- DOI:
- https://doi.org/10.17188/1208446
Citation Formats
The Materials Project. Materials Data on Li2SeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208446.
The Materials Project. Materials Data on Li2SeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1208446
The Materials Project. 2020.
"Materials Data on Li2SeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1208446. https://www.osti.gov/servlets/purl/1208446. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1208446,
title = {Materials Data on Li2SeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2SeO4 crystallizes in the trigonal R-3 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 LiO4 tetrahedra and corners with four equivalent SeO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.02 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 SeO4 tetrahedra. There is three shorter (1.98 Å) and one longer (2.00 Å) Li–O bond length. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with eight LiO4 tetrahedra. There is three shorter (1.67 Å) and one longer (1.68 Å) Se–O bond length. 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 Se6+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one Se6+ atom.},
doi = {10.17188/1208446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}