Materials Data on FeMo3S4 by Materials Project
Abstract
Mo3FeS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.45–2.52 Å. In the second Mo2+ site, Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.57 Å. In the third Mo2+ site, Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.62 Å. Fe2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Fe–S bond distances ranging from 2.37–2.63 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Mo2+ and one Fe2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Mo2+ and two equivalent Fe2+ atoms. In the third S2- site, S2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-27380
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; FeMo3S4; Fe-Mo-S
- OSTI Identifier:
- 1201599
- DOI:
- https://doi.org/10.17188/1201599
Citation Formats
The Materials Project. Materials Data on FeMo3S4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201599.
The Materials Project. Materials Data on FeMo3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1201599
The Materials Project. 2020.
"Materials Data on FeMo3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1201599. https://www.osti.gov/servlets/purl/1201599. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201599,
title = {Materials Data on FeMo3S4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo3FeS4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.45–2.52 Å. In the second Mo2+ site, Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.40–2.57 Å. In the third Mo2+ site, Mo2+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.42–2.62 Å. Fe2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Fe–S bond distances ranging from 2.37–2.63 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Mo2+ and one Fe2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Mo2+ and two equivalent Fe2+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Mo2+ and one Fe2+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four Mo2+ and one Fe2+ atom.},
doi = {10.17188/1201599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}