Materials Data on Li5SbS by Materials Project
Li5SbS crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to one Sb3- and two equivalent S2- atoms. The Li–Sb bond length is 2.73 Å. There are one shorter (2.38 Å) and one longer (2.41 Å) Li–S bond lengths. In the second Li1+ site, Li1+ is bonded to three equivalent Sb3- and one S2- atom to form a mixture of edge and corner-sharing LiSb3S tetrahedra. There are a spread of Li–Sb bond distances ranging from 2.85–2.90 Å. The Li–S bond length is 2.50 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to two equivalent Sb3- and two equivalent S2- atoms. Both Li–Sb bond lengths are 3.14 Å. Both Li–S bond lengths are 2.63 Å. Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. S2- is bonded in a 8-coordinate geometry to eight Li1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1289075
- Report Number(s):
- mp-753621
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Li5SbS by Materials Project
Materials Data on Li5SbS by Materials Project