Materials Data on Li(FeS2)2 by Materials Project
Abstract
Li(FeS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S+1.75- atoms to form LiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedra tilt angles range from 58–61°. All Li–S bond lengths are 2.35 Å. Fe3+ is bonded to six equivalent S+1.75- atoms to form FeS6 octahedra that share corners with six equivalent LiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.30 Å. S+1.75- is bonded to one Li1+ and three equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing SLiFe3 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1040470
- 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; Li(FeS2)2; Fe-Li-S
- OSTI Identifier:
- 1405336
- DOI:
- https://doi.org/10.17188/1405336
Citation Formats
The Materials Project. Materials Data on Li(FeS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1405336.
The Materials Project. Materials Data on Li(FeS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1405336
The Materials Project. 2020.
"Materials Data on Li(FeS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1405336. https://www.osti.gov/servlets/purl/1405336. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1405336,
title = {Materials Data on Li(FeS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li(FeS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S+1.75- atoms to form LiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedra tilt angles range from 58–61°. All Li–S bond lengths are 2.35 Å. Fe3+ is bonded to six equivalent S+1.75- atoms to form FeS6 octahedra that share corners with six equivalent LiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.30 Å. S+1.75- is bonded to one Li1+ and three equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing SLiFe3 tetrahedra.},
doi = {10.17188/1405336},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
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