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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1079939
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; FeH4; Fe-H
OSTI Identifier:
1716890
DOI:
https://doi.org/10.17188/1716890

Citation Formats

The Materials Project. Materials Data on FeH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716890.
The Materials Project. Materials Data on FeH4 by Materials Project. United States. doi:https://doi.org/10.17188/1716890
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1716890,
title = {Materials Data on FeH4 by Materials Project},
author = {The 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 = {2020},
month = {5}
}