U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li4SbS4 by Materials Project
Abstract
Li4SbS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S+1.75- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra, corners with six LiS4 tetrahedra, and edges with three LiS4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.46 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to four S+1.75- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra, corners with six LiS4 tetrahedra, and edges with three LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.48–2.55 Å. Sb3+ is bonded to four S+1.75- atoms to form SbS4 tetrahedra that share corners with sixteen LiS4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.53 Å) Sb–S bond lengths. There are two inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded to four Li1+ and one Sb3+ atom to form corner-sharing SLi4Sb trigonal bipyramids. In the second S+1.75- site, S+1.75- is bonded in a 5-coordinate geometry to four Li1+ and one Sb3+ atom.
- Publication Date:
- Other Number(s):
- mp-753776
- 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-S-Sb; Li4SbS4; crystal structure
- OSTI Identifier:
- 1289132
- DOI:
- https://doi.org/10.17188/1289132
Citation Formats
Materials Data on Li4SbS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289132.
Materials Data on Li4SbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1289132
2020.
"Materials Data on Li4SbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1289132. https://www.osti.gov/servlets/purl/1289132. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1289132,
title = {Materials Data on Li4SbS4 by Materials Project},
abstractNote = {Li4SbS4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four S+1.75- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra, corners with six LiS4 tetrahedra, and edges with three LiS4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.46 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to four S+1.75- atoms to form LiS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra, corners with six LiS4 tetrahedra, and edges with three LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.48–2.55 Å. Sb3+ is bonded to four S+1.75- atoms to form SbS4 tetrahedra that share corners with sixteen LiS4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.53 Å) Sb–S bond lengths. There are two inequivalent S+1.75- sites. In the first S+1.75- site, S+1.75- is bonded to four Li1+ and one Sb3+ atom to form corner-sharing SLi4Sb trigonal bipyramids. In the second S+1.75- site, S+1.75- is bonded in a 5-coordinate geometry to four Li1+ and one Sb3+ atom.},
doi = {10.17188/1289132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}