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Title: Materials Data on Fe2(CO)9 by Materials Project

Abstract

Fe2(CO)9 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six formaldehyde molecules and four Fe(CO)3 clusters. In each Fe(CO)3 cluster, Fe3+ is bonded in a 3-coordinate geometry to three equivalent C+1.33+ atoms. All Fe–C bond lengths are 1.82 Å. C+1.33+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. O2- is bonded in a single-bond geometry to one C+1.33+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643081
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; Fe2(CO)9; C-Fe-O
OSTI Identifier:
1280259
DOI:
10.17188/1280259

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Fe2(CO)9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280259.
Persson, Kristin, & Project, Materials. Materials Data on Fe2(CO)9 by Materials Project. United States. doi:10.17188/1280259.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Fe2(CO)9 by Materials Project". United States. doi:10.17188/1280259. https://www.osti.gov/servlets/purl/1280259. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1280259,
title = {Materials Data on Fe2(CO)9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Fe2(CO)9 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six formaldehyde molecules and four Fe(CO)3 clusters. In each Fe(CO)3 cluster, Fe3+ is bonded in a 3-coordinate geometry to three equivalent C+1.33+ atoms. All Fe–C bond lengths are 1.82 Å. C+1.33+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. O2- is bonded in a single-bond geometry to one C+1.33+ atom.},
doi = {10.17188/1280259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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