U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe4Te3Se by Materials Project
Abstract
(FeTe)2Fe2TeSe crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Fe2TeSe sheet oriented in the (0, 0, 1) direction and one FeTe sheet oriented in the (0, 0, 1) direction. In the Fe2TeSe sheet, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.58 Å. Both Fe–Se bond lengths are 2.41 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the FeTe sheet, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. All Fe–Te bond lengths are 2.60 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Fe2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1225000
- 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-Se-Te; Fe4Te3Se; crystal structure
- OSTI Identifier:
- 1685627
- DOI:
- https://doi.org/10.17188/1685627
Citation Formats
Materials Data on Fe4Te3Se by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685627.
Materials Data on Fe4Te3Se by Materials Project. United States. doi:https://doi.org/10.17188/1685627
2020.
"Materials Data on Fe4Te3Se by Materials Project". United States. doi:https://doi.org/10.17188/1685627. https://www.osti.gov/servlets/purl/1685627. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685627,
title = {Materials Data on Fe4Te3Se by Materials Project},
abstractNote = {(FeTe)2Fe2TeSe crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Fe2TeSe sheet oriented in the (0, 0, 1) direction and one FeTe sheet oriented in the (0, 0, 1) direction. In the Fe2TeSe sheet, Fe2+ is bonded in a 4-coordinate geometry to two equivalent Te2- and two equivalent Se2- atoms. Both Fe–Te bond lengths are 2.58 Å. Both Fe–Se bond lengths are 2.41 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the FeTe sheet, Fe2+ is bonded in a 4-coordinate geometry to four Te2- atoms. All Fe–Te bond lengths are 2.60 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Fe2+ atoms.},
doi = {10.17188/1685627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}