Materials Data on CoH12C2(Br2N)2 by Materials Project

doi:10.17188/1716980

Title: Materials Data on CoH12C2(Br2N)2 by Materials Project

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Abstract

CoBr4(CH3NH3)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight methylammonium molecules and four CoBr4 clusters. In each CoBr4 cluster, Co2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.40 Å) and two longer (2.42 Å) Co–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom.

Publication Date:: 2019-01-11

Other Number(s):: mp-1195995

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; Br-C-Co-H-N; CoH12C2(Br2N)2; crystal structure

OSTI Identifier:: 1716980

DOI:: https://doi.org/10.17188/1716980

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                    Materials Data on CoH12C2(Br2N)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1716980.

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                    Materials Data on CoH12C2(Br2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716980

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                    2019.  
"Materials Data on CoH12C2(Br2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716980.  https://www.osti.gov/servlets/purl/1716980. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1716980,

  title        = {Materials Data on CoH12C2(Br2N)2 by Materials Project},

  
  abstractNote = {CoBr4(CH3NH3)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight methylammonium molecules and four CoBr4 clusters. In each CoBr4 cluster, Co2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.40 Å) and two longer (2.42 Å) Co–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Co2+ atom.},

  doi          = {10.17188/1716980},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1716980

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