U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeCu2SnS4 by Materials Project
Abstract
Cu2FeSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.29 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.51 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.
- Publication Date:
- Other Number(s):
- mp-22648
- 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; Cu-Fe-S-Sn; FeCu2SnS4; crystal structure
- OSTI Identifier:
- 1198851
- DOI:
- https://doi.org/10.17188/1198851
Citation Formats
Materials Data on FeCu2SnS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1198851.
Materials Data on FeCu2SnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1198851
2020.
"Materials Data on FeCu2SnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1198851. https://www.osti.gov/servlets/purl/1198851. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1198851,
title = {Materials Data on FeCu2SnS4 by Materials Project},
abstractNote = {Cu2FeSnS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.29 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.51 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.},
doi = {10.17188/1198851},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}