U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li5SbS4 by Materials Project
Abstract
Li5SbS4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.41–3.06 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 trigonal pyramids. There are two shorter (2.44 Å) and two longer (2.45 Å) Li–S bond lengths. Sb3+ is bonded to four S2- atoms to form distorted SbS4 trigonal pyramids that share corners with four equivalent LiS4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.77 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Li1+ and one Sb3+ atom.
- Publication Date:
- Other Number(s):
- mp-776970
- 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-S-Sb; Li5SbS4
- OSTI Identifier:
- 1304582
- DOI:
- https://doi.org/10.17188/1304582
Citation Formats
Materials Data on Li5SbS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1304582.
Materials Data on Li5SbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1304582
2020.
"Materials Data on Li5SbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1304582. https://www.osti.gov/servlets/purl/1304582. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1304582,
title = {Materials Data on Li5SbS4 by Materials Project},
abstractNote = {Li5SbS4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.41–3.06 Å. In the second Li1+ site, Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 trigonal pyramids. There are two shorter (2.44 Å) and two longer (2.45 Å) Li–S bond lengths. Sb3+ is bonded to four S2- atoms to form distorted SbS4 trigonal pyramids that share corners with four equivalent LiS4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.77 Å) Sb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Li1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Li1+ and one Sb3+ atom.},
doi = {10.17188/1304582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}