Materials Data on KAuN12 by Materials Project

doi:10.17188/1273759

Title: Materials Data on KAuN12 by Materials Project

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Abstract

KAuN12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of K–N bond distances ranging from 3.00–3.31 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four N+0.33- atoms. There are two shorter (2.06 Å) and two longer (2.09 Å) Au–N bond lengths. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a bent 120 degrees geometry to one Au3+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the fourth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.22 Å. In the fifth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one K1+, one Au3+, and one N+0.33- atom. In the sixth N+0.33- site, N+0.33- is bonded in a 3-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-567218

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; KAuN12; Au-K-N

OSTI Identifier:: 1273759

DOI:: https://doi.org/10.17188/1273759

Citation Formats


                    The Materials Project. Materials Data on KAuN12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273759.

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                    The Materials Project. Materials Data on KAuN12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273759

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                    The Materials Project. 2020.  
"Materials Data on KAuN12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273759.  https://www.osti.gov/servlets/purl/1273759. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1273759,

  title        = {Materials Data on KAuN12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAuN12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of K–N bond distances ranging from 3.00–3.31 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four N+0.33- atoms. There are two shorter (2.06 Å) and two longer (2.09 Å) Au–N bond lengths. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a bent 120 degrees geometry to one Au3+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the fourth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.22 Å. In the fifth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one K1+, one Au3+, and one N+0.33- atom. In the sixth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom.},

  doi          = {10.17188/1273759},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1273759

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