Materials Data on FeSi2C4(Cl3O2)2 by Materials Project

doi:10.17188/1667154

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

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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.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1212763

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; 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.

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                    The Materials Project. Materials Data on FeSi2C4(Cl3O2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1667154

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                    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

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@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         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1667154

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