skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on FeSi2C4(Cl3O2)2 by Materials Project

Abstract

Fe(CO)4(SiCl3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trichlorosilane molecules and two Fe(CO)4 clusters. In each Fe(CO)4 cluster, Fe3+ is bonded in a square co-planar geometry to four C+0.75+ atoms. There is two shorter (1.82 Å) and two longer (1.83 Å) Fe–C bond length. There are two inequivalent C+0.75+ sites. In the first C+0.75+ site, C+0.75+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+0.75+ site, C+0.75+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.75+ atom.

Publication Date:
Other Number(s):
mp-1212763
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; FeSi2C4(Cl3O2)2; C-Cl-Fe-O-Si
OSTI Identifier:
1667154
DOI:
https://doi.org/10.17188/1667154

Citation Formats

The Materials Project. Materials Data on FeSi2C4(Cl3O2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667154.
The Materials Project. Materials Data on FeSi2C4(Cl3O2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667154
The Materials Project. 2020. "Materials Data on FeSi2C4(Cl3O2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667154. https://www.osti.gov/servlets/purl/1667154. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1667154,
title = {Materials Data on FeSi2C4(Cl3O2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(CO)4(SiCl3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trichlorosilane molecules and two Fe(CO)4 clusters. In each Fe(CO)4 cluster, Fe3+ is bonded in a square co-planar geometry to four C+0.75+ atoms. There is two shorter (1.82 Å) and two longer (1.83 Å) Fe–C bond length. There are two inequivalent C+0.75+ sites. In the first C+0.75+ site, C+0.75+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+0.75+ site, C+0.75+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.75+ atom.},
doi = {10.17188/1667154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}