U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe4Te3S by Materials Project
Abstract
Fe4Te3S crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4Te3S sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 1-coordinate geometry to three Te2- and one S2- atom. There are two shorter (2.58 Å) and one longer (2.59 Å) Fe–Te bond lengths. The Fe–S bond length is 2.26 Å. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent S2- atoms. Both Fe–Te bond lengths are 2.58 Å. Both Fe–S bond lengths are 2.28 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. S2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1225021
- 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-Te; Fe4Te3S; crystal structure
- OSTI Identifier:
- 1699292
- DOI:
- https://doi.org/10.17188/1699292
Citation Formats
Materials Data on Fe4Te3S by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699292.
Materials Data on Fe4Te3S by Materials Project. United States. doi:https://doi.org/10.17188/1699292
2019.
"Materials Data on Fe4Te3S by Materials Project". United States. doi:https://doi.org/10.17188/1699292. https://www.osti.gov/servlets/purl/1699292. Pub date:Sun Jan 13 04:00:00 UTC 2019
@article{osti_1699292,
title = {Materials Data on Fe4Te3S by Materials Project},
abstractNote = {Fe4Te3S crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two Fe4Te3S sheets oriented in the (0, 1, 0) direction. there are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a 1-coordinate geometry to three Te2- and one S2- atom. There are two shorter (2.58 Å) and one longer (2.59 Å) Fe–Te bond lengths. The Fe–S bond length is 2.26 Å. In the second Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.57 Å) and two longer (2.58 Å) Fe–Te bond lengths. In the third Fe2+ site, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent S2- atoms. Both Fe–Te bond lengths are 2.58 Å. Both Fe–S bond lengths are 2.28 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Fe2+ atoms. S2- is bonded in a 4-coordinate geometry to four Fe2+ atoms.},
doi = {10.17188/1699292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}