Materials Data on CsB(CN)4 by Materials Project

doi:10.17188/1189673

Title: Materials Data on CsB(CN)4 by Materials Project

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Abstract

Cs(CN)4B crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Cs(CN)4 framework. In the Cs(CN)4 framework, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.30 Å) and four longer (3.44 Å) Cs–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-13588

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; CsB(CN)4; B-C-Cs-N

OSTI Identifier:: 1189673

DOI:: https://doi.org/10.17188/1189673

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                    The Materials Project. Materials Data on CsB(CN)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189673.

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                    The Materials Project. Materials Data on CsB(CN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189673

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                    The Materials Project. 2020.  
"Materials Data on CsB(CN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189673.  https://www.osti.gov/servlets/purl/1189673. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1189673,

  title        = {Materials Data on CsB(CN)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs(CN)4B crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of four boron molecules and one Cs(CN)4 framework. In the Cs(CN)4 framework, Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.30 Å) and four longer (3.44 Å) Cs–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one C2+ atom.},

  doi          = {10.17188/1189673},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189673

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