Materials Data on KAu(CN)2 by Materials Project

doi:10.17188/1281858

Title: Materials Data on KAu(CN)2 by Materials Project

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Abstract

KAu(CN)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. There are three shorter (2.83 Å) and three longer (2.90 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. All K–N bond lengths are 2.85 Å. Au1- is bonded in a linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded to three K1+ and one C3+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-672348

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; KAu(CN)2; Au-C-K-N

OSTI Identifier:: 1281858

DOI:: https://doi.org/10.17188/1281858

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                    The Materials Project. Materials Data on KAu(CN)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281858.

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                    The Materials Project. Materials Data on KAu(CN)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281858

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                    The Materials Project. 2020.  
"Materials Data on KAu(CN)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281858.  https://www.osti.gov/servlets/purl/1281858. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1281858,

  title        = {Materials Data on KAu(CN)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAu(CN)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. There are three shorter (2.83 Å) and three longer (2.90 Å) K–N bond lengths. In the second K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. All K–N bond lengths are 2.85 Å. Au1- is bonded in a linear geometry to two equivalent C3+ atoms. Both Au–C bond lengths are 1.99 Å. C3+ is bonded in a distorted single-bond geometry to one Au1- and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded to three K1+ and one C3+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra.},

  doi          = {10.17188/1281858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281858

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