Materials Data on CoH8(ClO2)2 by Materials Project

doi:10.17188/1731370

Title: Materials Data on CoH8(ClO2)2 by Materials Project

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Abstract

CoH8(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four cobalt chloride tetrahydrate molecules. Co2+ is bonded in an octahedral geometry to four O2- and two Cl1- atoms. There are a spread of Co–O bond distances ranging from 2.10–2.17 Å. Both Co–Cl bond lengths are 2.43 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventhmore »« less

Publication Date:: Thu Jan 10 23:00:00 EST 2019

Other Number(s):: mp-1182181

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-Co-H-O; CoH8(ClO2)2; crystal structure

OSTI Identifier:: 1731370

DOI:: https://doi.org/10.17188/1731370

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                    Materials Data on CoH8(ClO2)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1731370.

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                    Materials Data on CoH8(ClO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731370

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                    2019.  
"Materials Data on CoH8(ClO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731370.  https://www.osti.gov/servlets/purl/1731370. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1731370,

  title        = {Materials Data on CoH8(ClO2)2 by Materials Project},

  
  abstractNote = {CoH8(O2Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four cobalt chloride tetrahydrate molecules. Co2+ is bonded in an octahedral geometry to four O2- and two Cl1- atoms. There are a spread of Co–O bond distances ranging from 2.10–2.17 Å. Both Co–Cl bond lengths are 2.43 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom.},

  doi          = {10.17188/1731370},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jan 10 23:00:00 EST 2019},

  month        = {Thu Jan 10 23:00:00 EST 2019}

}

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