Materials Data on KCN by Materials Project

doi:10.17188/1653925

Title: Materials Data on KCN by Materials Project

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Abstract

KCN crystallizes in the monoclinic Cc space group. The structure is three-dimensional. K1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of K–N bond distances ranging from 2.90–3.18 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.

Publication Date:: 2020-07-16

Other Number(s):: mp-1077078

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-K-N; KCN; crystal structure

OSTI Identifier:: 1653925

DOI:: https://doi.org/10.17188/1653925

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                    Materials Data on KCN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653925.

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                    Materials Data on KCN by Materials Project.  United States.  doi:https://doi.org/10.17188/1653925

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                    2020.  
"Materials Data on KCN by Materials Project".  United States.  doi:https://doi.org/10.17188/1653925.  https://www.osti.gov/servlets/purl/1653925. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1653925,

  title        = {Materials Data on KCN by Materials Project},

  
  abstractNote = {KCN crystallizes in the monoclinic Cc space group. The structure is three-dimensional. K1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are a spread of K–N bond distances ranging from 2.90–3.18 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.},

  doi          = {10.17188/1653925},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1653925

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Materials Data on KCN by Materials Project

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KCN crystallizes in the monoclinic Cm space group. The structure is three-dimensional. K1+ is bonded to four equivalent N3- atoms to form distorted corner-sharing KN4 trigonal pyramids. There are a spread of K–N bond distances ranging from 2.86–3.27 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a distorted single-bond geometry to four equivalent K1+ and one C2+ atom.
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KCN crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.90 Å) and one longer (2.94 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.96–3.19 Å. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of K–N bondmore »« less
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