U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl2Fe3S4 by Materials Project
Abstract
Fe3Tl2S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.22 Å. In the second Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) Fe–S bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Tl–S bond distances ranging from 3.30–3.43 Å. S2- is bonded in a 3-coordinate geometry to three Fe2+ and four equivalent Tl1+ atoms.
- Publication Date:
- Other Number(s):
- mp-17488
- 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-Tl; Tl2Fe3S4; crystal structure
- OSTI Identifier:
- 1192532
- DOI:
- https://doi.org/10.17188/1192532
Citation Formats
Materials Data on Tl2Fe3S4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192532.
Materials Data on Tl2Fe3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1192532
2020.
"Materials Data on Tl2Fe3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1192532. https://www.osti.gov/servlets/purl/1192532. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192532,
title = {Materials Data on Tl2Fe3S4 by Materials Project},
abstractNote = {Fe3Tl2S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. All Fe–S bond lengths are 2.22 Å. In the second Fe2+ site, Fe2+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing FeS4 tetrahedra. There are two shorter (2.16 Å) and two longer (2.17 Å) Fe–S bond lengths. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Tl–S bond distances ranging from 3.30–3.43 Å. S2- is bonded in a 3-coordinate geometry to three Fe2+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1192532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}