Materials Data on CoH5CN(ClO)2 by Materials Project

doi:10.17188/1686627

Title: Materials Data on CoH5CN(ClO)2 by Materials Project

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Abstract

CoCH(OCl)2NH4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ammonium molecules and two CoCH(OCl)2 ribbons oriented in the (0, 0, 1) direction. In each CoCH(OCl)2 ribbon, Co2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing CoCl4O2 octahedra. Both Co–O bond lengths are 2.12 Å. There are two shorter (2.45 Å) and two longer (2.47 Å) Co–Cl bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a 2-coordinate geometry to one Co2+ and one C2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1190433

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; CoH5CN(ClO)2; C-Cl-Co-H-N-O

OSTI Identifier:: 1686627

DOI:: https://doi.org/10.17188/1686627

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                    The Materials Project. Materials Data on CoH5CN(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686627.

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                    The Materials Project. Materials Data on CoH5CN(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686627

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                    The Materials Project. 2020.  
"Materials Data on CoH5CN(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686627.  https://www.osti.gov/servlets/purl/1686627. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1686627,

  title        = {Materials Data on CoH5CN(ClO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoCH(OCl)2NH4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four ammonium molecules and two CoCH(OCl)2 ribbons oriented in the (0, 0, 1) direction. In each CoCH(OCl)2 ribbon, Co2+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form edge-sharing CoCl4O2 octahedra. Both Co–O bond lengths are 2.12 Å. There are two shorter (2.45 Å) and two longer (2.47 Å) Co–Cl bond lengths. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a 2-coordinate geometry to one Co2+ and one C2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Co2+ atoms.},

  doi          = {10.17188/1686627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1686627

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