U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSn2(SO4)3 by Materials Project
Abstract
LiSn2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent SnO6 octahedra. All Li–O bond lengths are 2.40 Å. Sn+2.50+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra and a faceface with one LiO6 octahedra. There are three shorter (2.37 Å) and three longer (2.38 Å) Sn–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent LiO6 octahedra and corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–53°. There is two shorter (1.48 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn+2.50+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.50+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-768785
- 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; crystal structure; Li-O-S-Sn; LiSn2(SO4)3
- OSTI Identifier:
- 1298509
- DOI:
- https://doi.org/10.17188/1298509
Citation Formats
Materials Data on LiSn2(SO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298509.
Materials Data on LiSn2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1298509
2020.
"Materials Data on LiSn2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1298509. https://www.osti.gov/servlets/purl/1298509. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1298509,
title = {Materials Data on LiSn2(SO4)3 by Materials Project},
abstractNote = {LiSn2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent SnO6 octahedra. All Li–O bond lengths are 2.40 Å. Sn+2.50+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent SO4 tetrahedra and a faceface with one LiO6 octahedra. There are three shorter (2.37 Å) and three longer (2.38 Å) Sn–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent LiO6 octahedra and corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–53°. There is two shorter (1.48 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn+2.50+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn+2.50+ and one S6+ atom.},
doi = {10.17188/1298509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}