Materials Data on Zn3Co2(CN)12 by Materials Project

doi:10.17188/1266763

Title: Materials Data on Zn3Co2(CN)12 by Materials Project

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Abstract

Co2Zn3(CN)12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.96 Å) and two longer (1.98 Å) Zn–N bond length. There are two inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C+2.17+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Zn2+ and one C+2.17+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-542858

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; Zn3Co2(CN)12; C-Co-N-Zn

OSTI Identifier:: 1266763

DOI:: https://doi.org/10.17188/1266763

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                    The Materials Project. Materials Data on Zn3Co2(CN)12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266763.

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                    The Materials Project. Materials Data on Zn3Co2(CN)12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266763

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                    The Materials Project. 2020.  
"Materials Data on Zn3Co2(CN)12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266763.  https://www.osti.gov/servlets/purl/1266763. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1266763,

  title        = {Materials Data on Zn3Co2(CN)12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co2Zn3(CN)12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six C+2.17+ atoms. All Co–C bond lengths are 1.87 Å. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There is two shorter (1.96 Å) and two longer (1.98 Å) Zn–N bond length. There are two inequivalent C+2.17+ sites. In the first C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+2.17+ site, C+2.17+ is bonded in a linear geometry to one Co2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Zn2+ and one C+2.17+ atom. In the second N3- site, N3- is bonded in a distorted linear geometry to one Zn2+ and one C+2.17+ atom.},

  doi          = {10.17188/1266763},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266763

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