U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe2SiS4 by Materials Project
Abstract
Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-1096954
- 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; Fe-S-Si; Fe2SiS4; crystal structure
- OSTI Identifier:
- 1685947
- DOI:
- https://doi.org/10.17188/1685947
Citation Formats
Materials Data on Fe2SiS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685947.
Materials Data on Fe2SiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1685947
2020.
"Materials Data on Fe2SiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1685947. https://www.osti.gov/servlets/purl/1685947. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1685947,
title = {Materials Data on Fe2SiS4 by Materials Project},
abstractNote = {Fe2SiS4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent SiS4 tetrahedra and edges with six equivalent FeS6 octahedra. All Fe–S bond lengths are 2.44 Å. Si4+ is bonded to four equivalent S2- atoms to form SiS4 tetrahedra that share corners with twelve equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–S bond lengths are 2.18 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one Si4+ atom.},
doi = {10.17188/1685947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.