U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeH4 by Materials Project
Abstract
FeH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Fe2+ is bonded in a 9-coordinate geometry to eleven H+0.50- atoms. There are a spread of Fe–H bond distances ranging from 1.59–2.12 Å. There are three inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded in a distorted square co-planar geometry to four equivalent Fe2+ atoms. In the second H+0.50- site, H+0.50- is bonded in a distorted bent 120 degrees geometry to two equivalent Fe2+ atoms. In the third H+0.50- site, H+0.50- is bonded in a 1-coordinate geometry to three equivalent Fe2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1079939
- 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-H; FeH4; crystal structure
- OSTI Identifier:
- 1716890
- DOI:
- https://doi.org/10.17188/1716890
Citation Formats
Materials Data on FeH4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716890.
Materials Data on FeH4 by Materials Project. United States. doi:https://doi.org/10.17188/1716890
2020.
"Materials Data on FeH4 by Materials Project". United States. doi:https://doi.org/10.17188/1716890. https://www.osti.gov/servlets/purl/1716890. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1716890,
title = {Materials Data on FeH4 by Materials Project},
abstractNote = {FeH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Fe2+ is bonded in a 9-coordinate geometry to eleven H+0.50- atoms. There are a spread of Fe–H bond distances ranging from 1.59–2.12 Å. There are three inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded in a distorted square co-planar geometry to four equivalent Fe2+ atoms. In the second H+0.50- site, H+0.50- is bonded in a distorted bent 120 degrees geometry to two equivalent Fe2+ atoms. In the third H+0.50- site, H+0.50- is bonded in a 1-coordinate geometry to three equivalent Fe2+ atoms.},
doi = {10.17188/1716890},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}
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