Materials Data on Ba3Ir(CN)3 by Materials Project

doi:10.17188/1714834

Title: Materials Data on Ba3Ir(CN)3 by Materials Project

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Abstract

Ba3Ir(CN)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Ba3Ir(CN)3 clusters. Ba2+ is bonded in a 1-coordinate geometry to one N3- atom. The Ba–N bond length is 2.78 Å. Ir5+ is bonded in a trigonal planar geometry to three equivalent C+0.67- atoms. All Ir–C bond lengths are 1.91 Å. C+0.67- is bonded in a 1-coordinate geometry to one Ir5+ and one N3- atom. The C–N bond length is 1.24 Å. N3- is bonded in a distorted single-bond geometry to one Ba2+ and one C+0.67- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1106080

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; Ba3Ir(CN)3; Ba-C-Ir-N

OSTI Identifier:: 1714834

DOI:: https://doi.org/10.17188/1714834

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                    The Materials Project. Materials Data on Ba3Ir(CN)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714834.

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                    The Materials Project. Materials Data on Ba3Ir(CN)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714834

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                    The Materials Project. 2020.  
"Materials Data on Ba3Ir(CN)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714834.  https://www.osti.gov/servlets/purl/1714834. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1714834,

  title        = {Materials Data on Ba3Ir(CN)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3Ir(CN)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Ba3Ir(CN)3 clusters. Ba2+ is bonded in a 1-coordinate geometry to one N3- atom. The Ba–N bond length is 2.78 Å. Ir5+ is bonded in a trigonal planar geometry to three equivalent C+0.67- atoms. All Ir–C bond lengths are 1.91 Å. C+0.67- is bonded in a 1-coordinate geometry to one Ir5+ and one N3- atom. The C–N bond length is 1.24 Å. N3- is bonded in a distorted single-bond geometry to one Ba2+ and one C+0.67- atom.},

  doi          = {10.17188/1714834},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1714834

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