Materials Data on Li6Sb3S by Materials Project
Abstract
Li6Sb3S crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three Sb+1.33- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.75–3.13 Å. The Li–S bond length is 2.32 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three Sb+1.33- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.94–3.00 Å. The Li–S bond length is 2.39 Å. In the third Li1+ site, Li1+ is bonded in a 1-coordinate geometry to two Sb+1.33- and one S2- atom. There are one shorter (2.80 Å) and one longer (2.92 Å) Li–Sb bond lengths. The Li–S bond length is 2.32 Å. There are two inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded to six Li1+ atoms to form distorted SbLi6 octahedra that share corners with six equivalent SLi6 octahedra. The corner-sharing octahedra tilt angles range from 26–58°. In the second Sb+1.33- site, Sb+1.33- is bonded in a 5-coordinate geometry to five Li1+ atoms. S2- is bonded to six Li1+ atoms to form SLi6 octahedramore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767527
- 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; Li6Sb3S; Li-S-Sb
- OSTI Identifier:
- 1297673
- DOI:
- https://doi.org/10.17188/1297673
Citation Formats
The Materials Project. Materials Data on Li6Sb3S by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297673.
The Materials Project. Materials Data on Li6Sb3S by Materials Project. United States. doi:https://doi.org/10.17188/1297673
The Materials Project. 2020.
"Materials Data on Li6Sb3S by Materials Project". United States. doi:https://doi.org/10.17188/1297673. https://www.osti.gov/servlets/purl/1297673. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1297673,
title = {Materials Data on Li6Sb3S by Materials Project},
author = {The Materials Project},
abstractNote = {Li6Sb3S crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three Sb+1.33- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.75–3.13 Å. The Li–S bond length is 2.32 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to three Sb+1.33- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.94–3.00 Å. The Li–S bond length is 2.39 Å. In the third Li1+ site, Li1+ is bonded in a 1-coordinate geometry to two Sb+1.33- and one S2- atom. There are one shorter (2.80 Å) and one longer (2.92 Å) Li–Sb bond lengths. The Li–S bond length is 2.32 Å. There are two inequivalent Sb+1.33- sites. In the first Sb+1.33- site, Sb+1.33- is bonded to six Li1+ atoms to form distorted SbLi6 octahedra that share corners with six equivalent SLi6 octahedra. The corner-sharing octahedra tilt angles range from 26–58°. In the second Sb+1.33- site, Sb+1.33- is bonded in a 5-coordinate geometry to five Li1+ atoms. S2- is bonded to six Li1+ atoms to form SLi6 octahedra that share corners with six equivalent SbLi6 octahedra. The corner-sharing octahedra tilt angles range from 26–58°.},
doi = {10.17188/1297673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}