U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb3FeS3 by Materials Project
Abstract
Rb3FeS3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.28–3.37 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.62 Å. Fe3+ is bonded to four S2- atoms to form edge-sharing FeS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.33 Å) Fe–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six Rb1+ and one Fe3+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent Fe3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1193685
- 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-Rb-S; Rb3FeS3; crystal structure
- OSTI Identifier:
- 1711231
- DOI:
- https://doi.org/10.17188/1711231
Citation Formats
Materials Data on Rb3FeS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711231.
Materials Data on Rb3FeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1711231
2020.
"Materials Data on Rb3FeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1711231. https://www.osti.gov/servlets/purl/1711231. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1711231,
title = {Materials Data on Rb3FeS3 by Materials Project},
abstractNote = {Rb3FeS3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Rb–S bond distances ranging from 3.28–3.37 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.62 Å. Fe3+ is bonded to four S2- atoms to form edge-sharing FeS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.33 Å) Fe–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six Rb1+ and one Fe3+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent Fe3+ atoms.},
doi = {10.17188/1711231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}