Materials Data on Fe(ClO2)3 by Materials Project

doi:10.17188/1662744

Title: Materials Data on Fe(ClO2)3 by Materials Project

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Abstract

(Fe(O3Cl)2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and two Fe(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. In each Fe(O3Cl)2 ribbon, Fe is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Fe–O bond lengths are 2.19 Å. Both Fe–Cl bond lengths are 2.28 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Fe and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Cl is bonded in a single-bond geometry to one Fe atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1079439

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; Fe(ClO2)3; Cl-Fe-O

OSTI Identifier:: 1662744

DOI:: https://doi.org/10.17188/1662744

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                    The Materials Project. Materials Data on Fe(ClO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662744.

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                    The Materials Project. Materials Data on Fe(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662744

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                    The Materials Project. 2020.  
"Materials Data on Fe(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662744.  https://www.osti.gov/servlets/purl/1662744. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1662744,

  title        = {Materials Data on Fe(ClO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Fe(O3Cl)2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and two Fe(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. In each Fe(O3Cl)2 ribbon, Fe is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Fe–O bond lengths are 2.19 Å. Both Fe–Cl bond lengths are 2.28 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Fe and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. Cl is bonded in a single-bond geometry to one Fe atom.},

  doi          = {10.17188/1662744},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662744

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