Materials Data on ZnB2(CN)8 by Materials Project

doi:10.17188/1275027

Title: Materials Data on ZnB2(CN)8 by Materials Project

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Abstract

(B)2Zn(CN)6(CN)2 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two boron molecules, two hydrogen cyanide molecules, and one Zn(CN)6 cluster. In the Zn(CN)6 cluster, Zn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Zn–N bond lengths are 2.16 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-569303

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; ZnB2(CN)8; B-C-N-Zn

OSTI Identifier:: 1275027

DOI:: https://doi.org/10.17188/1275027

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                    The Materials Project. Materials Data on ZnB2(CN)8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275027.

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                    The Materials Project. Materials Data on ZnB2(CN)8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275027

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                    The Materials Project. 2020.  
"Materials Data on ZnB2(CN)8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275027.  https://www.osti.gov/servlets/purl/1275027. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1275027,

  title        = {Materials Data on ZnB2(CN)8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(B)2Zn(CN)6(CN)2 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two boron molecules, two hydrogen cyanide molecules, and one Zn(CN)6 cluster. In the Zn(CN)6 cluster, Zn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Zn–N bond lengths are 2.16 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Zn2+ and one C2+ atom.},

  doi          = {10.17188/1275027},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1275027

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