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Title: Materials Data on Fe(CO)6 by Materials Project

Abstract

FeO2(C)4(CO2)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four carbon dioxide molecules; two C ribbons oriented in the (1, 0, 0) direction; and two FeO2 ribbons oriented in the (1, 0, 0) direction. In each C ribbon, C+1.50+ is bonded in a distorted linear geometry to two equivalent C+1.50+ atoms. There is one shorter (1.25 Å) and one longer (1.35 Å) C–C bond length. In each FeO2 ribbon, Fe3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The O–O bond length is 1.38 Å.

Publication Date:
Other Number(s):
mp-1212773
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; Fe(CO)6; C-Fe-O
OSTI Identifier:
1677887
DOI:
https://doi.org/10.17188/1677887

Citation Formats

The Materials Project. Materials Data on Fe(CO)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677887.
The Materials Project. Materials Data on Fe(CO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1677887
The Materials Project. 2019. "Materials Data on Fe(CO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1677887. https://www.osti.gov/servlets/purl/1677887. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677887,
title = {Materials Data on Fe(CO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {FeO2(C)4(CO2)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four carbon dioxide molecules; two C ribbons oriented in the (1, 0, 0) direction; and two FeO2 ribbons oriented in the (1, 0, 0) direction. In each C ribbon, C+1.50+ is bonded in a distorted linear geometry to two equivalent C+1.50+ atoms. There is one shorter (1.25 Å) and one longer (1.35 Å) C–C bond length. In each FeO2 ribbon, Fe3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The O–O bond length is 1.38 Å.},
doi = {10.17188/1677887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}