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Title: Materials Data on FeH2(CO2)2 by Materials Project

Abstract

Fe(HCOO)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four Fe(HCOO)2 ribbons oriented in the (0, 1, 0) direction. Fe2+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Fe–H bond lengths are 1.72 Å. There are two shorter (2.07 Å) and two longer (2.08 Å) Fe–O bond lengths. C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one Fe2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe2+ and one C2+ atom.

Publication Date:
Other Number(s):
mp-1212734
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeH2(CO2)2; C-Fe-H-O
OSTI Identifier:
1738730
DOI:
https://doi.org/10.17188/1738730

Citation Formats

The Materials Project. Materials Data on FeH2(CO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738730.
The Materials Project. Materials Data on FeH2(CO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1738730
The Materials Project. 2020. "Materials Data on FeH2(CO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1738730. https://www.osti.gov/servlets/purl/1738730. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1738730,
title = {Materials Data on FeH2(CO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(HCOO)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four Fe(HCOO)2 ribbons oriented in the (0, 1, 0) direction. Fe2+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Fe–H bond lengths are 1.72 Å. There are two shorter (2.07 Å) and two longer (2.08 Å) Fe–O bond lengths. C2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one Fe2+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe2+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Fe2+ and one C2+ atom.},
doi = {10.17188/1738730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}