Materials Data on CoH18N6(ClO)3 by Materials Project

doi:10.17188/1652309

Title: Materials Data on CoH18N6(ClO)3 by Materials Project

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Abstract

Co(NH3)6ClO3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, eight hydrochloric acid molecules, and four ClO3 clusters. In each ClO3 cluster, there are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.50 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.50 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.51 Å. Cl1- is bonded in a trigonal non-coplanar geometry to three O2- atoms.

Authors:: The Materials Project

Publication Date:: Fri May 29 00:00:00 EDT 2020

Other Number(s):: mp-1201414

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; CoH18N6(ClO)3; Cl-Co-H-N-O

OSTI Identifier:: 1652309

DOI:: https://doi.org/10.17188/1652309

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                    The Materials Project. Materials Data on CoH18N6(ClO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652309.

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                    The Materials Project. Materials Data on CoH18N6(ClO)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652309

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                    The Materials Project. 2020.  
"Materials Data on CoH18N6(ClO)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652309.  https://www.osti.gov/servlets/purl/1652309. Pub date:Fri May 29 00:00:00 EDT 2020

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@article{osti_1652309,

  title        = {Materials Data on CoH18N6(ClO)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co(NH3)6ClO3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four azane;cobalt molecules, eight hydrochloric acid molecules, and four ClO3 clusters. In each ClO3 cluster, there are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.50 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.50 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.51 Å. Cl1- is bonded in a trigonal non-coplanar geometry to three O2- atoms.},

  doi          = {10.17188/1652309},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 29 00:00:00 EDT 2020},

  month        = {Fri May 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1652309

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