Materials Data on Cr(ClO2)2 by Materials Project

doi:10.17188/1698493

Title: Materials Data on Cr(ClO2)2 by Materials Project

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Abstract

Cr(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Cr(O2Cl)2 ribbons oriented in the (1, 0, 0) direction. Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.67 Å) and two longer (1.90 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.48 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.66 Å. In the second O site, O is bonded in a single-bond geometry to one Cr atom. Cl is bonded in a water-like geometry to one Cr and one O atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1104833

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Cr-O; Cr(ClO2)2; crystal structure

OSTI Identifier:: 1698493

DOI:: https://doi.org/10.17188/1698493

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                    Materials Data on Cr(ClO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698493.

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                    Materials Data on Cr(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698493

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                    2020.  
"Materials Data on Cr(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698493.  https://www.osti.gov/servlets/purl/1698493. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1698493,

  title        = {Materials Data on Cr(ClO2)2 by Materials Project},

  
  abstractNote = {Cr(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Cr(O2Cl)2 ribbons oriented in the (1, 0, 0) direction. Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.67 Å) and two longer (1.90 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.48 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.66 Å. In the second O site, O is bonded in a single-bond geometry to one Cr atom. Cl is bonded in a water-like geometry to one Cr and one O atom.},

  doi          = {10.17188/1698493},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698493

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