Materials Data on K2NaCo(CN)6 by Materials Project

doi:10.17188/1274067

Title: Materials Data on K2NaCo(CN)6 by Materials Project

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Abstract

K2Na(CN)6Co crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two cobalt molecules and one K2Na(CN)6 framework. In the K2Na(CN)6 framework, K1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.88–3.27 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Na–N bond distances ranging from 2.52–2.56 Å. There are three inequivalent C+2.33+ sites. In the first C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+, one Na1+, and one C+2.33+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one C+2.33+ atom. In the third N3-more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-567824

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; K2NaCo(CN)6; C-Co-K-N-Na

OSTI Identifier:: 1274067

DOI:: https://doi.org/10.17188/1274067

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                    The Materials Project. Materials Data on K2NaCo(CN)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274067.

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                    The Materials Project. Materials Data on K2NaCo(CN)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274067

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                    The Materials Project. 2020.  
"Materials Data on K2NaCo(CN)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274067.  https://www.osti.gov/servlets/purl/1274067. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1274067,

  title        = {Materials Data on K2NaCo(CN)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Na(CN)6Co crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two cobalt molecules and one K2Na(CN)6 framework. In the K2Na(CN)6 framework, K1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.88–3.27 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of Na–N bond distances ranging from 2.52–2.56 Å. There are three inequivalent C+2.33+ sites. In the first C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+2.33+ site, C+2.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+, one Na1+, and one C+2.33+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one C+2.33+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+, one Na1+, and one C+2.33+ atom.},

  doi          = {10.17188/1274067},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274067

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