U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeHO2 by Materials Project
Abstract
FeOOH crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two FeOOH sheets oriented in the (0, 1, 0) direction. Fe3+ is bonded to one H1+ and six O2- atoms to form a mixture of distorted edge and corner-sharing FeHO6 pentagonal bipyramids. The Fe–H bond length is 1.99 Å. There are a spread of Fe–O bond distances ranging from 1.99–2.07 Å. H1+ is bonded in a bent 150 degrees geometry to one Fe3+ and two equivalent O2- atoms. Both H–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Fe3+ and two equivalent H1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-24992
- 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; FeHO2; Fe-H-O
- OSTI Identifier:
- 1200395
- DOI:
- https://doi.org/10.17188/1200395
Citation Formats
The Materials Project. Materials Data on FeHO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200395.
The Materials Project. Materials Data on FeHO2 by Materials Project. United States. doi:https://doi.org/10.17188/1200395
The Materials Project. 2020.
"Materials Data on FeHO2 by Materials Project". United States. doi:https://doi.org/10.17188/1200395. https://www.osti.gov/servlets/purl/1200395. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1200395,
title = {Materials Data on FeHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeOOH crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two FeOOH sheets oriented in the (0, 1, 0) direction. Fe3+ is bonded to one H1+ and six O2- atoms to form a mixture of distorted edge and corner-sharing FeHO6 pentagonal bipyramids. The Fe–H bond length is 1.99 Å. There are a spread of Fe–O bond distances ranging from 1.99–2.07 Å. H1+ is bonded in a bent 150 degrees geometry to one Fe3+ and two equivalent O2- atoms. Both H–O bond lengths are 1.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing OFe4 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Fe3+ and two equivalent H1+ atoms.},
doi = {10.17188/1200395},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}