Materials Data on Li4Bi2S7 by Materials Project
Li4Bi2S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing LiS5 square pyramids. There are a spread of Li–S bond distances ranging from 2.51–2.70 Å. In the second 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 2.44–2.81 Å. Bi5+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Bi–S bond distances ranging from 2.54–2.92 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Li1+ and one Bi5+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Li1+ atoms. In the third S2- site, S2- is bonded in a distorted octahedral geometry to four Li1+ and two equivalent Bi5+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to three Li1+ and two equivalent Bi5+ 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:
- 1289025
- Report Number(s):
- mp-753429
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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